1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine

C16H34N2 — CID 64724849

IUPAC1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
SMILESCCCCCN(C)C1C(C)CC(C)CC1NCC
InChIInChI=1S/C16H34N2/c1-6-8-9-10-18(5)16-14(4)11-13(3)12-15(16)17-7-2/h13-17H,6-12H2,1-5H3
InChIKeyJOYNOPRKUFNSFA-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine

1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine (PubChem CID 64724849) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
PubChem CID64724849
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
SMILESCCCCCN(C)C1C(C)CC(C)CC1NCC
InChIInChI=1S/C16H34N2/c1-6-8-9-10-18(5)16-14(4)11-13(3)12-15(16)17-7-2/h13-17H,6-12H2,1-5H3
InChIKeyJOYNOPRKUFNSFA-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine 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

2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
CID 64751671
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
1-N,2-N,3,5-tetramethyl-2-N-propylcyclohexane-1,2-diamine
CID 64724829
1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 64722812
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
N-ethyl-2-hexoxy-3,5-dimethylcyclohexan-1-amine
CID 64752582
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine
CID 64751181
2-N-butyl-2-N-ethyl-1-N,3,5-trimethylcyclohexane-1,2-diamine
CID 64724627
2-[[cyclopropyl(methyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64737005
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine (CID 64724849) is 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine is CCCCCN(C)C1C(C)CC(C)CC1NCC.
What is the InChIKey of 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine?
The InChIKey is JOYNOPRKUFNSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-8-9-10-18(5)16-14(4)11-13(3)12-15(16)17-7-2/h13-17H,6-12H2,1-5H3.
What are the key properties of 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine?
1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine is sourced from PubChem (CID 64724849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).