[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine

C16H26BrNS — CID 63521616

IUPAC[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C16H26BrNS/c1-15(2,3)12-6-8-16(11-18,9-7-12)10-13-4-5-14(17)19-13/h4-5,12H,6-11,18H2,1-3H3
InChIKeyHNLXXLUNRMLIJP-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.23
Rot. Bonds3

About [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine

[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine (PubChem CID 63521616) has the molecular formula C16H26BrNS and a molecular weight of 344.36 g/mol. Its IUPAC name is [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine
PubChem CID63521616
Molecular FormulaC16H26BrNS
Molecular Weight344.36 g/mol
Exact Mass343.10
IUPAC Name[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C16H26BrNS/c1-15(2,3)12-6-8-16(11-18,9-7-12)10-13-4-5-14(17)19-13/h4-5,12H,6-11,18H2,1-3H3
InChIKeyHNLXXLUNRMLIJP-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine 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

2-bromo-5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]thiophene
CID 66048702
1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexane-1-carbonitrile
CID 65400226
[1-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methanamine
CID 65194183
[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112644052
[4-tert-butyl-1-[(4-methylphenyl)methyl]cyclohexyl]methanamine
CID 63523406
[4-tert-butyl-1-[(4-iodophenyl)methyl]cyclohexyl]methanamine
CID 65488924
1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147375
[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
CID 63521434
1-[(5-bromothiophen-2-yl)methyl]-3-methylcyclopentan-1-amine
CID 64513410
[4-tert-butyl-1-(trimethylsilylmethyl)cyclohexyl]methanamine
CID 106323361
[4-tert-butyl-1-(3-methylbutyl)cyclohexyl]methanamine
CID 63522154
2-(5-bromothiophen-2-yl)-N-[(4-tert-butylcyclohexyl)methyl]ethanamine
CID 106042535

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine?
The IUPAC name of [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine (CID 63521616) is [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine?
The canonical SMILES for [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(Cc2ccc(Br)s2)CC1.
What is the InChIKey of [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine?
The InChIKey is HNLXXLUNRMLIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNS/c1-15(2,3)12-6-8-16(11-18,9-7-12)10-13-4-5-14(17)19-13/h4-5,12H,6-11,18H2,1-3H3.
What are the key properties of [1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine?
[1-[(5-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexyl]methanamine has a molecular weight of 344.36 g/mol, XLogP of 5.23, 3 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]-4-tert-butylcyclohexyl]methanamine is sourced from PubChem (CID 63521616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).