N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine

C13H20ClNS — CID 103698612

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H20ClNS/c1-10-2-4-11(5-3-10)15-9-8-12-6-7-13(14)16-12/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyHEVYKPHCTCZPSK-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.11
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 103698612) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID103698612
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc(Cl)s2)CC1
InChIInChI=1S/C13H20ClNS/c1-10-2-4-11(5-3-10)15-9-8-12-6-7-13(14)16-12/h6-7,10-11,15H,2-5,8-9H2,1H3
InChIKeyHEVYKPHCTCZPSK-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
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N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559351
(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
CID 114227927

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine (CID 103698612) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NCCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is HEVYKPHCTCZPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-10-2-4-11(5-3-10)15-9-8-12-6-7-13(14)16-12/h6-7,10-11,15H,2-5,8-9H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 257.83 g/mol, XLogP of 4.11, 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]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 103698612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).