4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine

C11H17BrN2S — CID 62314221

IUPAC4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C11H17BrN2S/c12-11-6-5-10(15-11)7-14-9-3-1-8(13)2-4-9/h5-6,8-9,14H,1-4,7,13H2
InChIKeyOPODQOAPFUVANV-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.87
Rot. Bonds3

About 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine

4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 62314221) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
PubChem CID62314221
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2ccc(Br)s2)CC1
InChIInChI=1S/C11H17BrN2S/c12-11-6-5-10(15-11)7-14-9-3-1-8(13)2-4-9/h5-6,8-9,14H,1-4,7,13H2
InChIKeyOPODQOAPFUVANV-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234226
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
N-[[4-[(5-bromothiophen-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 60882902
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
CID 106182710

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine (CID 62314221) is 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine is NC1CCC(NCc2ccc(Br)s2)CC1.
What is the InChIKey of 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is OPODQOAPFUVANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c12-11-6-5-10(15-11)7-14-9-3-1-8(13)2-4-9/h5-6,8-9,14H,1-4,7,13H2.
What are the key properties of 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 289.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62314221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).