4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine

C14H23BrN2S — CID 115149941

IUPAC4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
SMILESCC(C)(CNC1CCC(N)CC1)c1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-14(2,13-7-10(15)8-18-13)9-17-12-5-3-11(16)4-6-12/h7-8,11-12,17H,3-6,9,16H2,1-2H3
InChIKeyCUXCMBGPZHFMGI-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.65
Rot. Bonds4

About 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine

4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine (PubChem CID 115149941) has the molecular formula C14H23BrN2S and a molecular weight of 331.32 g/mol. Its IUPAC name is 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
PubChem CID115149941
Molecular FormulaC14H23BrN2S
Molecular Weight331.32 g/mol
Exact Mass330.08
IUPAC Name4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
SMILESCC(C)(CNC1CCC(N)CC1)c1cc(Br)cs1
InChIInChI=1S/C14H23BrN2S/c1-14(2,13-7-10(15)8-18-13)9-17-12-5-3-11(16)4-6-12/h7-8,11-12,17H,3-6,9,16H2,1-2H3
InChIKeyCUXCMBGPZHFMGI-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210070
3-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135077
4-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]aniline
CID 115212607
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
CID 115197588
2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133068
4-N-(2-methyl-2-pyridin-3-ylpropyl)cyclohexane-1,4-diamine
CID 115149949
3-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234386
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523
2-(4-bromothiophen-2-yl)-1-hydrazinylpropan-2-ol
CID 82297708
4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 79736600
4-bromo-2-tert-butylthiophene
CID 20594406
4-amino-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 115156184

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine (CID 115149941) is 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine is CC(C)(CNC1CCC(N)CC1)c1cc(Br)cs1.
What is the InChIKey of 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine?
The InChIKey is CUXCMBGPZHFMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2S/c1-14(2,13-7-10(15)8-18-13)9-17-12-5-3-11(16)4-6-12/h7-8,11-12,17H,3-6,9,16H2,1-2H3.
What are the key properties of 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine?
4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine has a molecular weight of 331.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 115149941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).