1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine

C16H26BrNS — CID 55196072

IUPAC1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H26BrNS/c1-3-4-5-12-6-8-13(9-7-12)16(18-2)14-10-11-15(17)19-14/h10-13,16,18H,3-9H2,1-2H3
InChIKeyVVVVNCKLSFWDBI-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.77
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine

1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine (PubChem CID 55196072) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
PubChem CID55196072
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
SMILESCCCCC1CCC(C(NC)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H26BrNS/c1-3-4-5-12-6-8-13(9-7-12)16(18-2)14-10-11-15(17)19-14/h10-13,16,18H,3-9H2,1-2H3
InChIKeyVVVVNCKLSFWDBI-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine 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

N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 63501873
1-(4-butylcyclohexyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532961
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 79991749
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 65279032
1-(4-butylcyclohexyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 115859834
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
1-(4-butylcyclohexyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480190
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
2-[bromo-(4-butylcyclohexyl)methyl]-5-ethylthiophene
CID 63439010
1-(4-butylcyclohexyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 105006471
1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
N-[1-(5-bromothiophen-2-yl)ethyl]-3-cyclopentylpropan-1-amine
CID 106008220

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine (CID 55196072) is 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine is CCCCC1CCC(C(NC)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
The InChIKey is VVVVNCKLSFWDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-3-4-5-12-6-8-13(9-7-12)16(18-2)14-10-11-15(17)19-14/h10-13,16,18H,3-9H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine?
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine has a molecular weight of 344.36 g/mol, XLogP of 5.77, 6 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)-1-(4-butylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 55196072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).