(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane

C106H242N10 — CID 163585002

IUPAC(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane
SMILESC.C.C.C.C.C.C.C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.CC(C)CCN(C)C(C)C.CC(C)N[C@H]1CC[C@@H](C(C)C)CN1.CCC.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2.5C11H23N.2C10H21N.C9H21N.C3H8.8CH4/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2)6-7-10(5)9(3)4;1-3-2;;;;;;;;/h8-13H,5-7H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;3H2,1-2H3;8*1H4/t10-,11+;;;;;;;9-;;;;;;;;;;/m1......0........../s1
InChIKeyGKSVPGFUPXNBHL-ZAVGKDLHSA-N
MW1657.17 g/mol
LogP29.69
Rot. Bonds20

About (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane

(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane (PubChem CID 163585002) has the molecular formula C106H242N10 and a molecular weight of 1657.17 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane
PubChem CID163585002
Molecular FormulaC106H242N10
Molecular Weight1657.17 g/mol
Exact Mass1655.92
IUPAC Name(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane
SMILESC.C.C.C.C.C.C.C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.CC(C)CCN(C)C(C)C.CC(C)N[C@H]1CC[C@@H](C(C)C)CN1.CCC.C[C@H]1CCCN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2.5C11H23N.2C10H21N.C9H21N.C3H8.8CH4/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2)6-7-10(5)9(3)4;1-3-2;;;;;;;;/h8-13H,5-7H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;3H2,1-2H3;8*1H4/t10-,11+;;;;;;;9-;;;;;;;;;;/m1......0........../s1
InChIKeyGKSVPGFUPXNBHL-ZAVGKDLHSA-N
XLogP29.69
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001657.17
LogP ≤ 529.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane?
The IUPAC name of (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane (CID 163585002) is (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane.
What is the SMILES notation for (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane?
The canonical SMILES for (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane is C.C.C.C.C.C.C.C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)CC1CCCN1C(C)C.CC(C)CCN(C)C(C)C.CC(C)N[C@H]1CC[C@@H](C(C)C)CN1.CCC.C[C@H]1CCCN(C(C)(C)C)C1.
What is the InChIKey of (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane?
The InChIKey is GKSVPGFUPXNBHL-ZAVGKDLHSA-N. The full InChI is InChI=1S/C11H24N2.5C11H23N.2C10H21N.C9H21N.C3H8.8CH4/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)8-11-6-5-7-12(11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;1-9-6-5-7-11(8-9)10(2,3)4;1-8(2)6-7-10(5)9(3)4;1-3-2;;;;;;;;/h8-13H,5-7H2,1-4H3;5*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;9H,5-8H2,1-4H3;8-9H,6-7H2,1-5H3;3H2,1-2H3;8*1H4/t10-,11+;;;;;;;9-;;;;;;;;;;/m1......0........../s1.
What are the key properties of (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane?
(3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane has a molecular weight of 1657.17 g/mol, XLogP of 29.69, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-methylpiperidine;N,3-dimethyl-N-propan-2-ylbutan-1-amine;(2S,5S)-N,5-di(propan-2-yl)piperidin-2-amine;1,3-di(propan-2-yl)piperidine;bis(1,4-di(propan-2-yl)piperidine);(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;propane is sourced from PubChem (CID 163585002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).