N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine

C15H29N — CID 135070193

IUPACN-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
SMILESCCCCNCCC(C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H29N/c1-4-5-11-16-12-10-14(3)15-8-6-13(2)7-9-15/h6,14-16H,4-5,7-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyAUTUHGJBQQNVOL-LOACHALJSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds7

About N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine

N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine (PubChem CID 135070193) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
PubChem CID135070193
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
SMILESCCCCNCCC(C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H29N/c1-4-5-11-16-12-10-14(3)15-8-6-13(2)7-9-15/h6,14-16H,4-5,7-12H2,1-3H3/t14?,15-/m0/s1
InChIKeyAUTUHGJBQQNVOL-LOACHALJSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
2-(1-Cyclohexen-1-YL)-N-(cyclohexylmethyl)-1-ethanamine hydrochloride
CID 11948824
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
CID 24850675
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
CID 24850676
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
N-[2-(1-cyclohexen-1-yl)ethyl]-1-propanamine hydrochloride
CID 16641248
[2-(1-Cyclohexen-1-yl)ethyl]ethylamine hydrochloride
CID 16956078
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The IUPAC name of N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine (CID 135070193) is N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine.
What is the SMILES notation for N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The canonical SMILES for N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine is CCCCNCCC(C)[C@H]1CC=C(C)CC1.
What is the InChIKey of N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
The InChIKey is AUTUHGJBQQNVOL-LOACHALJSA-N. The full InChI is InChI=1S/C15H29N/c1-4-5-11-16-12-10-14(3)15-8-6-13(2)7-9-15/h6,14-16H,4-5,7-12H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine?
N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine is sourced from PubChem (CID 135070193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).