N-(5-methylhexyl)-N-propylcyclohexanamine

C16H33N — CID 167070487

IUPACN-(5-methylhexyl)-N-propylcyclohexanamine
SMILESCCCN(CCCCC(C)C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-4-13-17(14-9-8-10-15(2)3)16-11-6-5-7-12-16/h15-16H,4-14H2,1-3H3
InChIKeyXKMDORMWHHICBC-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.86
Rot. Bonds8

About N-(5-methylhexyl)-N-propylcyclohexanamine

N-(5-methylhexyl)-N-propylcyclohexanamine (PubChem CID 167070487) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-(5-methylhexyl)-N-propylcyclohexanamine.

Molecular Properties

Compound NameN-(5-methylhexyl)-N-propylcyclohexanamine
PubChem CID167070487
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-(5-methylhexyl)-N-propylcyclohexanamine
SMILESCCCN(CCCCC(C)C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-4-13-17(14-9-8-10-15(2)3)16-11-6-5-7-12-16/h15-16H,4-14H2,1-3H3
InChIKeyXKMDORMWHHICBC-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(5-methylhexyl)-N-propylcyclohexanamine 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-butyl-N-propylcyclohexanamine
CID 15751893
N,N-dipropylcyclodecanamine
CID 139723962
N-butyl-N-[2-(3-methylbutoxy)ethyl]cyclohexanamine
CID 170541781
N'-cyclohexyl-N-methyl-N'-propylethane-1,2-diamine
CID 82932420
N'-cycloheptyl-N-methyl-N'-propylethane-1,2-diamine
CID 82931038
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
N'-cyclopropyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 83157183
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
6-[cyclopentyl(2-methylpropyl)amino]hexan-3-ol
CID 106802461

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-N-propylcyclohexanamine?
The IUPAC name of N-(5-methylhexyl)-N-propylcyclohexanamine (CID 167070487) is N-(5-methylhexyl)-N-propylcyclohexanamine.
What is the SMILES notation for N-(5-methylhexyl)-N-propylcyclohexanamine?
The canonical SMILES for N-(5-methylhexyl)-N-propylcyclohexanamine is CCCN(CCCCC(C)C)C1CCCCC1.
What is the InChIKey of N-(5-methylhexyl)-N-propylcyclohexanamine?
The InChIKey is XKMDORMWHHICBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-13-17(14-9-8-10-15(2)3)16-11-6-5-7-12-16/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(5-methylhexyl)-N-propylcyclohexanamine?
N-(5-methylhexyl)-N-propylcyclohexanamine has a molecular weight of 239.45 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-N-propylcyclohexanamine is sourced from PubChem (CID 167070487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).