N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine

C14H22ClNS — CID 106041165

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CCCC(C)C1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNS/c1-10-4-3-5-11(2)14(10)16-9-8-12-6-7-13(15)17-12/h6-7,10-11,14,16H,3-5,8-9H2,1-2H3
InChIKeyLGJMGEFNXRELTE-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.36
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 106041165) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID106041165
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CCCC(C)C1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNS/c1-10-4-3-5-11(2)14(10)16-9-8-12-6-7-13(15)17-12/h6-7,10-11,14,16H,3-5,8-9H2,1-2H3
InChIKeyLGJMGEFNXRELTE-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578
(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
CID 114227927
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
2-[2-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 114140415
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115713605
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine (CID 106041165) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine is CC1CCCC(C)C1NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is LGJMGEFNXRELTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-10-4-3-5-11(2)14(10)16-9-8-12-6-7-13(15)17-12/h6-7,10-11,14,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 271.86 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106041165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).