1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine

C13H20BrNS — CID 64760587

IUPAC1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(Cc2ccc(Br)s2)C1
InChIInChI=1S/C13H20BrNS/c1-9-3-4-10(2)13(15,7-9)8-11-5-6-12(14)16-11/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyQQZILJKVAYFRJP-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.21
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine

1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine (PubChem CID 64760587) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
PubChem CID64760587
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(Cc2ccc(Br)s2)C1
InChIInChI=1S/C13H20BrNS/c1-9-3-4-10(2)13(15,7-9)8-11-5-6-12(14)16-11/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyQQZILJKVAYFRJP-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-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-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine
CID 64513410
1-[(4-bromophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774368
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64776822
1-[(3,4-dimethylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64763177
1-[(5-bromothiophen-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-ol
CID 65147426
1-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65393457
1-[(2-chloro-4-methylphenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 106866820
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 63521616
4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
CID 114501970
1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol
CID 65148847
2-bromo-5-[(2-chloro-5-methylcyclohexyl)methyl]thiophene
CID 63461149

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine (CID 64760587) is 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(N)(Cc2ccc(Br)s2)C1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
The InChIKey is QQZILJKVAYFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-9-3-4-10(2)13(15,7-9)8-11-5-6-12(14)16-11/h5-6,9-10H,3-4,7-8,15H2,1-2H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine?
1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine has a molecular weight of 302.28 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64760587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).