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

C11H17ClN2S — CID 79420437

IUPAC4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2cc(Cl)cs2)CC1
InChIInChI=1S/C11H17ClN2S/c12-8-5-11(15-7-8)6-14-10-3-1-9(13)2-4-10/h5,7,9-10,14H,1-4,6,13H2
InChIKeyOVSRRMUJMOGJFB-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.76
Rot. Bonds3

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

4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 79420437) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
PubChem CID79420437
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NCc2cc(Cl)cs2)CC1
InChIInChI=1S/C11H17ClN2S/c12-8-5-11(15-7-8)6-14-10-3-1-9(13)2-4-10/h5,7,9-10,14H,1-4,6,13H2
InChIKeyOVSRRMUJMOGJFB-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
CID 79420660
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
ethyl 4-[(4-chlorothiophen-2-yl)methylamino]cyclohexane-1-carboxylate
CID 79419998
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
N-[(4-chlorothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 79419388
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511
N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79426608
[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 107166401
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449
4-[[(4-chlorothiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127324
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine (CID 79420437) is 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine is NC1CCC(NCc2cc(Cl)cs2)CC1.
What is the InChIKey of 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is OVSRRMUJMOGJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c12-8-5-11(15-7-8)6-14-10-3-1-9(13)2-4-10/h5,7,9-10,14H,1-4,6,13H2.
What are the key properties of 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 244.79 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79420437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).