N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine

C14H29N — CID 107427829

IUPACN-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC(C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C14H29N/c1-5-12(4)15-14-8-6-7-13(10-14)9-11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyQQJHFDMFYUBYAF-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds5

About N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine

N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107427829) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107427829
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCC(C)NC1CCCC(CC(C)C)C1
InChIInChI=1S/C14H29N/c1-5-12(4)15-14-8-6-7-13(10-14)9-11(2)3/h11-15H,5-10H2,1-4H3
InChIKeyQQJHFDMFYUBYAF-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428492
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
ethyl 2-[[3-(2-methylpropyl)cyclohexyl]amino]propanoate
CID 107428371
N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428506
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
CID 106284636
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
N-cyclopent-3-en-1-yl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428777
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428627
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428247
4-ethyl-1-[[[3-(2-methylpropyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 107428536
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine (CID 107427829) is N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine is CCC(C)NC1CCCC(CC(C)C)C1.
What is the InChIKey of N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is QQJHFDMFYUBYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-12(4)15-14-8-6-7-13(10-14)9-11(2)3/h11-15H,5-10H2,1-4H3.
What are the key properties of N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine?
N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107427829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).