N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine

C73H156N6 — CID 157276706

IUPACN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.C12H24.2C11H23N.C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;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;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3
InChIKeyAZEPBEYDWCFLGC-UHFFFAOYSA-N
MW1118.09 g/mol
LogP19.61
Rot. Bonds19

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

N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 157276706) has the molecular formula C73H156N6 and a molecular weight of 1118.09 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID157276706
Molecular FormulaC73H156N6
Molecular Weight1118.09 g/mol
Exact Mass1117.24
IUPAC NameN,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1
InChIInChI=1S/C12H25N.C12H24.2C11H23N.C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;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;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3
InChIKeyAZEPBEYDWCFLGC-UHFFFAOYSA-N
XLogP19.61
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.09
LogP ≤ 519.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-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;ethane;3-methyl-N-propan-2-ylbutan-1-amine;(3S)-3-methyl-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 160733353
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
N-methyl-N,1-di(propan-2-yl)piperidin-3-amine
CID 159984005
N-pentan-3-yl-1-propan-2-ylazepan-4-amine
CID 65072876
1,4-di(propan-2-yl)piperidine
CID 21303253
3-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 134456922
N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503231
3-cyclopropyl-N-methyl-N-propan-2-ylbutan-1-amine
CID 177203933
N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 55258927

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine (CID 157276706) is N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine is CC(C)C1CCC(C(C)C)CC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)CCN(C)C(C)C.CC(C)CCNC(C)C.CC(C)NC1CCC(C(C)C)CC1.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is AZEPBEYDWCFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C12H24.2C11H23N.C10H21N.C9H21N.C8H19N/c1-9(2)11-5-7-12(8-6-11)13-10(3)4;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;1-8(2)10-5-6-11(7-10)9(3)4;1-8(2)6-7-10(5)9(3)4;1-7(2)5-6-9-8(3)4/h9-13H,5-8H2,1-4H3;9-12H,5-8H2,1-4H3;2*9-11H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;8-9H,6-7H2,1-5H3;7-9H,5-6H2,1-4H3.
What are the key properties of N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine?
N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 1118.09 g/mol, XLogP of 19.61, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylbutan-1-amine;N,4-di(propan-2-yl)cyclohexan-1-amine;1,4-di(propan-2-yl)cyclohexane;1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 157276706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).