2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine

C18H38N2 — CID 64751152

IUPAC2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)C(C)CC(C)C
InChIInChI=1S/C18H38N2/c1-8-9-19-17-12-14(4)11-15(5)18(17)20(7)16(6)10-13(2)3/h13-19H,8-12H2,1-7H3
InChIKeyRHDKQLLJNRGCKA-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds7

About 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine

2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine (PubChem CID 64751152) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
PubChem CID64751152
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
SMILESCCCNC1CC(C)CC(C)C1N(C)C(C)CC(C)C
InChIInChI=1S/C18H38N2/c1-8-9-19-17-12-14(4)11-15(5)18(17)20(7)16(6)10-13(2)3/h13-19H,8-12H2,1-7H3
InChIKeyRHDKQLLJNRGCKA-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-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,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
CID 64723005
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
2-N-butyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724621
2-N,3,5-trimethyl-2-N-(4-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64751336
2-N-cyclopentyl-2-N,3,5-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64723407
1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 64722812
2-N,3,5-trimethyl-2-N-(2-methylcyclohexyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750765
2-N-butyl-2-N-ethyl-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64724626
2-N,2-N-bis(2-methoxyethyl)-3,5-dimethyl-1-N-propylcyclohexane-1,2-diamine
CID 64753309
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
2-N-(cyclopropylmethyl)-3,5-dimethyl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64752522

Frequently Asked Questions

What is the IUPAC name of 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine (CID 64751152) is 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine is CCCNC1CC(C)CC(C)C1N(C)C(C)CC(C)C.
What is the InChIKey of 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
The InChIKey is RHDKQLLJNRGCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-9-19-17-12-14(4)11-15(5)18(17)20(7)16(6)10-13(2)3/h13-19H,8-12H2,1-7H3.
What are the key properties of 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine?
2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 64751152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).