N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine

C17H35N — CID 65425541

IUPACN-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NC)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-17(18-4)16-12-10-15(11-13-16)14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyJSHPADGWPQPMCS-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds8

About N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine

N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine (PubChem CID 65425541) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
PubChem CID65425541
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
SMILESCCCCCCC(NC)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H35N/c1-5-6-7-8-9-17(18-4)16-12-10-15(11-13-16)14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyJSHPADGWPQPMCS-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-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-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
1-(3,5-dimethylcyclohexyl)-N-methyloctan-1-amine
CID 104989051
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)nonan-1-amine
CID 115998056
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958
heptane;1-methyl-4-propan-2-ylcyclohexane
CID 145172646
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclohexyl-N-ethyloctan-1-amine
CID 63413572
1-cycloheptyldodecylhydrazine
CID 105330602

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine?
The IUPAC name of N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine (CID 65425541) is N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine is CCCCCCC(NC)C1CCC(C(C)C)CC1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine?
The InChIKey is JSHPADGWPQPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-7-8-9-17(18-4)16-12-10-15(11-13-16)14(2)3/h14-18H,5-13H2,1-4H3.
What are the key properties of N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine?
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine is sourced from PubChem (CID 65425541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).