1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine

C18H37N3 — CID 81303824

IUPAC1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine
SMILESCCN1CCCC1CN(C)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C18H37N3/c1-6-21-11-7-8-16(21)13-20(5)18(14-19)10-9-17(3,4)12-15(18)2/h15-16H,6-14,19H2,1-5H3
InChIKeyNPQIFCIOWUZDCA-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.95
Rot. Bonds5

About 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine

1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine (PubChem CID 81303824) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine
PubChem CID81303824
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine
SMILESCCN1CCCC1CN(C)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C18H37N3/c1-6-21-11-7-8-16(21)13-20(5)18(14-19)10-9-17(3,4)12-15(18)2/h15-16H,6-14,19H2,1-5H3
InChIKeyNPQIFCIOWUZDCA-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-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

Related Compounds

1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872648
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79308723
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
1-(aminomethyl)-2,4,4-trimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 81320581
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
CID 81321456
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79303418
1-(aminomethyl)-2-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 79303841
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine (CID 81303824) is 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine is CCN1CCCC1CN(C)C1(CN)CCC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine?
The InChIKey is NPQIFCIOWUZDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-21-11-7-8-16(21)13-20(5)18(14-19)10-9-17(3,4)12-15(18)2/h15-16H,6-14,19H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine?
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine has a molecular weight of 295.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 81303824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).