4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine

C11H24N2 — CID 59289542

IUPAC4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine
SMILESCCN(C(C)C)C1CCC(N)CC1
InChIInChI=1S/C11H24N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h9-11H,4-8,12H2,1-3H3
InChIKeyWHCBTOXIQIJCGD-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.99
Rot. Bonds3

About 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine

4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine (PubChem CID 59289542) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine
PubChem CID59289542
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine
SMILESCCN(C(C)C)C1CCC(N)CC1
InChIInChI=1S/C11H24N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h9-11H,4-8,12H2,1-3H3
InChIKeyWHCBTOXIQIJCGD-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine (CID 59289542) is 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine is CCN(C(C)C)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine?
The InChIKey is WHCBTOXIQIJCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine?
4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-propan-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 59289542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).