1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine

C18H36N2O — CID 107449048

IUPAC1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C18H36N2O/c1-14(2)17-6-5-9-18(12-17,13-19)20(10-11-21-4)15(3)16-7-8-16/h14-17H,5-13,19H2,1-4H3
InChIKeyRBLAPGAOQCIKMB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.28
Rot. Bonds8

About 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449048) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449048
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCCC(C(C)C)C1
InChIInChI=1S/C18H36N2O/c1-14(2)17-6-5-9-18(12-17,13-19)20(10-11-21-4)15(3)16-7-8-16/h14-17H,5-13,19H2,1-4H3
InChIKeyRBLAPGAOQCIKMB-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-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

Related Compounds

1-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759445
1-(aminomethyl)-N-(1-methoxypropan-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 54946351
1-(aminomethyl)-4-ethyl-N-(1-methoxypropan-2-yl)-N-methylcyclohexan-1-amine
CID 54946353
2-N-cyclopropyl-4-ethyl-2-N-(2-methoxyethyl)cyclohexane-1,2-diamine
CID 54946358
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-propylcyclohexane-1,2-diamine
CID 54946409
1-cyclohexyl-N-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54946803
1-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylcyclohexan-1-amine
CID 54946804
2-N-cyclopropyl-2-ethyl-2-N-(2-methoxyethyl)-4-methylhexane-1,2-diamine
CID 54946805
1-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-4-methylcyclohexan-1-amine
CID 54946854
1-(aminomethyl)-N-cyclopropyl-4-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
CID 54946906
1-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylcyclohexan-1-amine
CID 54946955
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methyloctane-1,2-diamine
CID 54947009

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine (CID 107449048) is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine is COCCN(C(C)C1CC1)C1(CN)CCCC(C(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is RBLAPGAOQCIKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)17-6-5-9-18(12-17,13-19)20(10-11-21-4)15(3)16-7-8-16/h14-17H,5-13,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).