1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine

C19H38N2 — CID 63471586

IUPAC1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine
SMILESCCC1CCC(N(C)C2(CN)CC(C)CC(C)(C)C2)CC1
InChIInChI=1S/C19H38N2/c1-6-16-7-9-17(10-8-16)21(5)19(14-20)12-15(2)11-18(3,4)13-19/h15-17H,6-14,20H2,1-5H3
InChIKeyTWQXILRUBKTKSK-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.43
Rot. Bonds4

About 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine

1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine (PubChem CID 63471586) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine
PubChem CID63471586
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine
SMILESCCC1CCC(N(C)C2(CN)CC(C)CC(C)(C)C2)CC1
InChIInChI=1S/C19H38N2/c1-6-16-7-9-17(10-8-16)21(5)19(14-20)12-15(2)11-18(3,4)13-19/h15-17H,6-14,20H2,1-5H3
InChIKeyTWQXILRUBKTKSK-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine (CID 63471586) is 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine is CCC1CCC(N(C)C2(CN)CC(C)CC(C)(C)C2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine?
The InChIKey is TWQXILRUBKTKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-6-16-7-9-17(10-8-16)21(5)19(14-20)12-15(2)11-18(3,4)13-19/h15-17H,6-14,20H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine?
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3,3,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 63471586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).