1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

C17H34N2O — CID 62703920

IUPAC1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CC1CCCO1)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-4-19(12-16-6-5-11-20-16)17(13-18)9-7-15(8-10-17)14(2)3/h14-16H,4-13,18H2,1-3H3
InChIKeyADQHSFXQKZBRSI-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62703920) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID62703920
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CC1CCCO1)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-4-19(12-16-6-5-11-20-16)17(13-18)9-7-15(8-10-17)14(2)3/h14-16H,4-13,18H2,1-3H3
InChIKeyADQHSFXQKZBRSI-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-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-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433810
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 62007723
4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 61434002
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 103562711
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 107397782
1-(aminomethyl)-N-ethyl-N-[2-(oxolan-2-yl)ethyl]cyclopentan-1-amine
CID 65158368
1-(aminomethyl)-N-butyl-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 63471719
[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine
CID 114080121
1-(aminomethyl)-N-ethyl-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79171980
1-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]-N-propylcyclopentan-1-amine
CID 65158370

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine (CID 62703920) is 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is CCN(CC1CCCO1)C1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is ADQHSFXQKZBRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-19(12-16-6-5-11-20-16)17(13-18)9-7-15(8-10-17)14(2)3/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 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-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62703920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).