1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C18H24N2S — CID 65379549

IUPAC1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESNCC1(NCc2cccs2)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H24N2S/c19-14-18(20-13-17-7-4-12-21-17)10-8-16(9-11-18)15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14,19H2
InChIKeyQONQZUBOZKLRKC-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.89
Rot. Bonds5

About 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65379549) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID65379549
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESNCC1(NCc2cccs2)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H24N2S/c19-14-18(20-13-17-7-4-12-21-17)10-8-16(9-11-18)15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14,19H2
InChIKeyQONQZUBOZKLRKC-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-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)-4-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 65379764
1-(aminomethyl)-3,3,5,5-tetramethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 112682362
[1-(thiophen-2-ylmethylamino)cyclopentyl]methanol
CID 61054389
[4-propyl-1-(thiophen-2-ylmethylamino)cyclohexyl]methanol
CID 61057016
[1-(thiophen-2-ylmethylamino)cyclooctyl]methanol
CID 61056403
3-(aminomethyl)-N-(thiophen-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 65379750
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221
1-(aminomethyl)-N-benzylcyclobutan-1-amine
CID 79521095

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 65379549) is 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is NCC1(NCc2cccs2)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is QONQZUBOZKLRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c19-14-18(20-13-17-7-4-12-21-17)10-8-16(9-11-18)15-5-2-1-3-6-15/h1-7,12,16,20H,8-11,13-14,19H2.
What are the key properties of 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-phenyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65379549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).