N-heptan-4-yl-2-methylcyclohexan-1-amine

C14H29N — CID 43097186

IUPACN-heptan-4-yl-2-methylcyclohexan-1-amine
SMILESCCCC(CCC)NC1CCCCC1C
InChIInChI=1S/C14H29N/c1-4-8-13(9-5-2)15-14-11-7-6-10-12(14)3/h12-15H,4-11H2,1-3H3
InChIKeyROMFWNXHDHAEKQ-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.12
Rot. Bonds6

About N-heptan-4-yl-2-methylcyclohexan-1-amine

N-heptan-4-yl-2-methylcyclohexan-1-amine (PubChem CID 43097186) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-heptan-4-yl-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-heptan-4-yl-2-methylcyclohexan-1-amine
PubChem CID43097186
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-heptan-4-yl-2-methylcyclohexan-1-amine
SMILESCCCC(CCC)NC1CCCCC1C
InChIInChI=1S/C14H29N/c1-4-8-13(9-5-2)15-14-11-7-6-10-12(14)3/h12-15H,4-11H2,1-3H3
InChIKeyROMFWNXHDHAEKQ-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-heptan-4-yl-2-methylcyclopentan-1-amine
CID 63277449
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
2-[[(1S,2R)-2-methylcyclohexyl]amino]propane-1,3-diol
CID 96980097
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
2-[[(1R,2S)-2-methylcyclopentyl]amino]propane-1,3-diol
CID 96980281
ethyl 2-[(2-methylcycloheptyl)amino]pentanoate
CID 83040703
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
CID 103729880
2-methyl-N-(5-methylheptan-3-yl)cyclopentan-1-amine
CID 63277446
(2R)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124526620
(2S)-2-amino-N-[(1R,2S)-2-methylcyclohexyl]pentanamide
CID 93255478
(4R)-4-[[(1S,2R)-2-methylcyclohexyl]amino]pentan-1-ol
CID 124710122

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2-methylcyclohexan-1-amine?
The IUPAC name of N-heptan-4-yl-2-methylcyclohexan-1-amine (CID 43097186) is N-heptan-4-yl-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-heptan-4-yl-2-methylcyclohexan-1-amine?
The canonical SMILES for N-heptan-4-yl-2-methylcyclohexan-1-amine is CCCC(CCC)NC1CCCCC1C.
What is the InChIKey of N-heptan-4-yl-2-methylcyclohexan-1-amine?
The InChIKey is ROMFWNXHDHAEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-8-13(9-5-2)15-14-11-7-6-10-12(14)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-heptan-4-yl-2-methylcyclohexan-1-amine?
N-heptan-4-yl-2-methylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2-methylcyclohexan-1-amine is sourced from PubChem (CID 43097186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).