1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine

C17H28N2S — CID 64753440

IUPAC1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(N(Cc2ccsc2)C2CC2)C1
InChIInChI=1S/C17H28N2S/c1-13-7-14(2)9-17(8-13,12-18)19(16-3-4-16)10-15-5-6-20-11-15/h5-6,11,13-14,16H,3-4,7-10,12,18H2,1-2H3
InChIKeyVAFJLWUPOPXFNZ-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.87
Rot. Bonds5

About 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (PubChem CID 64753440) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
PubChem CID64753440
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(CN)(N(Cc2ccsc2)C2CC2)C1
InChIInChI=1S/C17H28N2S/c1-13-7-14(2)9-17(8-13,12-18)19(16-3-4-16)10-15-5-6-20-11-15/h5-6,11,13-14,16H,3-4,7-10,12,18H2,1-2H3
InChIKeyVAFJLWUPOPXFNZ-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-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)-N-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 61433850
1-(aminomethyl)-N-cyclopropyl-3-ethyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 64501598
N-cyclopropyl-1-(5-methyloxolan-2-yl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 82835300
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 61433840
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
8-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)spiro[4.5]decan-8-amine
CID 114818042
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
CID 164652404
N-cyclopropyl-1-thiophen-3-yl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433804
N,1-dicyclopropyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 61433894
3-(aminomethyl)-N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 79950337
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine (CID 64753440) is 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is CC1CC(C)CC(CN)(N(Cc2ccsc2)C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is VAFJLWUPOPXFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-13-7-14(2)9-17(8-13,12-18)19(16-3-4-16)10-15-5-6-20-11-15/h5-6,11,13-14,16H,3-4,7-10,12,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-3,5-dimethyl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64753440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).