1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine

C16H34N2O — CID 81321382

IUPAC1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCCN(C(C)COC)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2O/c1-7-18(14(3)11-19-6)16(12-17)9-8-15(4,5)10-13(16)2/h13-14H,7-12,17H2,1-6H3
InChIKeyFPYIGUVVYDATDM-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81321382) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81321382
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCCN(C(C)COC)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2O/c1-7-18(14(3)11-19-6)16(12-17)9-8-15(4,5)10-13(16)2/h13-14H,7-12,17H2,1-6H3
InChIKeyFPYIGUVVYDATDM-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-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-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine (CID 81321382) is 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine is CCN(C(C)COC)C1(CN)CCC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is FPYIGUVVYDATDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-18(14(3)11-19-6)16(12-17)9-8-15(4,5)10-13(16)2/h13-14H,7-12,17H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81321382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).