N-heptyl-3,5-dimethylcyclohexan-1-amine

C15H31N — CID 64731854

IUPACN-heptyl-3,5-dimethylcyclohexan-1-amine
SMILESCCCCCCCNC1CC(C)CC(C)C1
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-16-15-11-13(2)10-14(3)12-15/h13-16H,4-12H2,1-3H3
InChIKeyRMQRMILLKSNJAN-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds7

About N-heptyl-3,5-dimethylcyclohexan-1-amine

N-heptyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64731854) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-heptyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-heptyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64731854
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-heptyl-3,5-dimethylcyclohexan-1-amine
SMILESCCCCCCCNC1CC(C)CC(C)C1
InChIInChI=1S/C15H31N/c1-4-5-6-7-8-9-16-15-11-13(2)10-14(3)12-15/h13-16H,4-12H2,1-3H3
InChIKeyRMQRMILLKSNJAN-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-heptyl-3,5-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
4-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 64731694
N-hexyl-3-methoxycyclobutan-1-amine
CID 104870767
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
3-methyl-N-(7-methyloctyl)cyclobutan-1-amine
CID 103560965
5-[(3,5-dimethylcyclohexyl)amino]pentanoic acid
CID 103254539
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
CID 64734426
N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
CID 65093543
N-dodecylcyclohexanamine
CID 3679395
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
N-decyl-1,5-dimethylpyrrolidin-3-amine
CID 81467256

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-heptyl-3,5-dimethylcyclohexan-1-amine (CID 64731854) is N-heptyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-heptyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-heptyl-3,5-dimethylcyclohexan-1-amine is CCCCCCCNC1CC(C)CC(C)C1.
What is the InChIKey of N-heptyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is RMQRMILLKSNJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-5-6-7-8-9-16-15-11-13(2)10-14(3)12-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N-heptyl-3,5-dimethylcyclohexan-1-amine?
N-heptyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64731854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).