bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine

C92H197N9 — CID 158122348

IUPACbis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCN(C)C(C)C.CC(C)[C@@H]1CCCN(C(C)C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1
InChIInChI=1S/4C11H23N.3C10H21N.2C9H21N/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)6-7-10(5)9(3)4/h4*9-11H,5-8H2,1-4H3;3*8-10H,5-7H2,1-4H3;2*8-9H,6-7H2,1-5H3/t;2*11-;;2*10-;;;/m.10.10.../s1
InChIKeyFRTIMMAWSULCLQ-GYBLCLNQSA-N
MW1429.65 g/mol
LogP22.91
Rot. Bonds22

About bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine

bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine (PubChem CID 158122348) has the molecular formula C92H197N9 and a molecular weight of 1429.65 g/mol. Its IUPAC name is bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Namebis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
PubChem CID158122348
Molecular FormulaC92H197N9
Molecular Weight1429.65 g/mol
Exact Mass1428.57
IUPAC Namebis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCN(C)C(C)C.CC(C)[C@@H]1CCCN(C(C)C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1
InChIInChI=1S/4C11H23N.3C10H21N.2C9H21N/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)6-7-10(5)9(3)4/h4*9-11H,5-8H2,1-4H3;3*8-10H,5-7H2,1-4H3;2*8-9H,6-7H2,1-5H3/t;2*11-;;2*10-;;;/m.10.10.../s1
InChIKeyFRTIMMAWSULCLQ-GYBLCLNQSA-N
XLogP22.91
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001429.65
LogP ≤ 522.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine with MolForge

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Related Compounds

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CID 157814797
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5-Tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;9-tert-butyl-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane;2,8-ditert-butyl-2,8-diazaspiro[4.5]decane
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N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine?
The IUPAC name of bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine (CID 158122348) is bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine?
The canonical SMILES for bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine is CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)CCN(C)C(C)C.CC(C)CCN(C)C(C)C.CC(C)[C@@H]1CCCN(C(C)C)C1.CC(C)[C@@H]1CCN(C(C)C)C1.CC(C)[C@H]1CCCN(C(C)C)C1.CC(C)[C@H]1CCN(C(C)C)C1.
What is the InChIKey of bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine?
The InChIKey is FRTIMMAWSULCLQ-GYBLCLNQSA-N. The full InChI is InChI=1S/4C11H23N.3C10H21N.2C9H21N/c1-9(2)11-5-7-12(8-6-11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;3*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)6-7-10(5)9(3)4/h4*9-11H,5-8H2,1-4H3;3*8-10H,5-7H2,1-4H3;2*8-9H,6-7H2,1-5H3/t;2*11-;;2*10-;;;/m.10.10.../s1.
What are the key properties of bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine?
bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine has a molecular weight of 1429.65 g/mol, XLogP of 22.91, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,3-dimethyl-N-propan-2-ylbutan-1-amine);1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 158122348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).