N-butyl-4-propylcyclohexan-1-amine

C13H27N — CID 43080052

IUPACN-butyl-4-propylcyclohexan-1-amine
SMILESCCCCNC1CCC(CCC)CC1
InChIInChI=1S/C13H27N/c1-3-5-11-14-13-9-7-12(6-4-2)8-10-13/h12-14H,3-11H2,1-2H3
InChIKeyVBFXNLNFXMRHTM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.73
Rot. Bonds6

About N-butyl-4-propylcyclohexan-1-amine

N-butyl-4-propylcyclohexan-1-amine (PubChem CID 43080052) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-butyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-4-propylcyclohexan-1-amine
PubChem CID43080052
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-butyl-4-propylcyclohexan-1-amine
SMILESCCCCNC1CCC(CCC)CC1
InChIInChI=1S/C13H27N/c1-3-5-11-14-13-9-7-12(6-4-2)8-10-13/h12-14H,3-11H2,1-2H3
InChIKeyVBFXNLNFXMRHTM-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-butyl-N'-cyclopropylpropane-1,3-diamine
CID 61149641
[4-(butylamino)cyclohexyl]methanol
CID 89339972
N-heptyl-4-[(4-propylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 20516715
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
N-but-3-ynyl-4-propylcyclohexan-1-amine
CID 63656858
N'-hydroxy-4-[(4-propylcyclohexyl)amino]butanimidamide
CID 77031889
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
1,4-dipropylcyclohexane;pentane
CID 90867354
N'-hydroxy-5-[(4-propylcyclohexyl)amino]pentanimidamide
CID 77031441
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
CID 28672998

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-propylcyclohexan-1-amine?
The IUPAC name of N-butyl-4-propylcyclohexan-1-amine (CID 43080052) is N-butyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-butyl-4-propylcyclohexan-1-amine?
The canonical SMILES for N-butyl-4-propylcyclohexan-1-amine is CCCCNC1CCC(CCC)CC1.
What is the InChIKey of N-butyl-4-propylcyclohexan-1-amine?
The InChIKey is VBFXNLNFXMRHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-3-5-11-14-13-9-7-12(6-4-2)8-10-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-butyl-4-propylcyclohexan-1-amine?
N-butyl-4-propylcyclohexan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43080052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).