2-butyl-N-methylcyclohexan-1-amine;propan-1-ol

C14H31NO — CID 71071796

IUPAC2-butyl-N-methylcyclohexan-1-amine;propan-1-ol
SMILESCCCCC1CCCCC1NC.CCCO
InChIInChI=1S/C11H23N.C3H8O/c1-3-4-7-10-8-5-6-9-11(10)12-2;1-2-3-4/h10-12H,3-9H2,1-2H3;4H,2-3H2,1H3
InChIKeyGGPKAEMLBGTZSF-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds5

About 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol

2-butyl-N-methylcyclohexan-1-amine;propan-1-ol (PubChem CID 71071796) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol.

Molecular Properties

Compound Name2-butyl-N-methylcyclohexan-1-amine;propan-1-ol
PubChem CID71071796
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-butyl-N-methylcyclohexan-1-amine;propan-1-ol
SMILESCCCCC1CCCCC1NC.CCCO
InChIInChI=1S/C11H23N.C3H8O/c1-3-4-7-10-8-5-6-9-11(10)12-2;1-2-3-4/h10-12H,3-9H2,1-2H3;4H,2-3H2,1H3
InChIKeyGGPKAEMLBGTZSF-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butan-1-ol;2-butyl-N-methylcycloheptan-1-amine
CID 71071246
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
butan-1-ol;2-butyl-N-methylcyclobutan-1-amine
CID 71071171
2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
CID 71071435
2-butyl-N-methylcyclopropan-1-amine;propan-1-ol
CID 89249229
N-methyl-2-(4-methylpentyl)cyclohexan-1-amine
CID 83159039
2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
CID 104648337
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729
(2-butylcyclopentyl)carbamic acid
CID 142463044
3-[(2-hexylcyclopentyl)amino]propan-1-ol
CID 115705219
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol?
The IUPAC name of 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol (CID 71071796) is 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol.
What is the SMILES notation for 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol?
The canonical SMILES for 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol is CCCCC1CCCCC1NC.CCCO.
What is the InChIKey of 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol?
The InChIKey is GGPKAEMLBGTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C3H8O/c1-3-4-7-10-8-5-6-9-11(10)12-2;1-2-3-4/h10-12H,3-9H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol?
2-butyl-N-methylcyclohexan-1-amine;propan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methylcyclohexan-1-amine;propan-1-ol is sourced from PubChem (CID 71071796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).