1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine

C16H25BrN2S — CID 64623184

IUPAC1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
SMILESCN(Cc1csc(Br)c1)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C16H25BrN2S/c1-19(9-12-7-15(17)20-10-12)16(11-18)6-2-3-14(8-16)13-4-5-13/h7,10,13-14H,2-6,8-9,11,18H2,1H3
InChIKeyUBOHQEAGBYCSHL-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.24
Rot. Bonds5

About 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine

1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine (PubChem CID 64623184) has the molecular formula C16H25BrN2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
PubChem CID64623184
Molecular FormulaC16H25BrN2S
Molecular Weight357.36 g/mol
Exact Mass356.09
IUPAC Name1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
SMILESCN(Cc1csc(Br)c1)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C16H25BrN2S/c1-19(9-12-7-15(17)20-10-12)16(11-18)6-2-3-14(8-16)13-4-5-13/h7,10,13-14H,2-6,8-9,11,18H2,1H3
InChIKeyUBOHQEAGBYCSHL-UHFFFAOYSA-N
XLogP4.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine (CID 64623184) is 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine is CN(Cc1csc(Br)c1)C1(CN)CCCC(C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
The InChIKey is UBOHQEAGBYCSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2S/c1-19(9-12-7-15(17)20-10-12)16(11-18)6-2-3-14(8-16)13-4-5-13/h7,10,13-14H,2-6,8-9,11,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine?
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine has a molecular weight of 357.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64623184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).