4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine

C12H18ClNS — CID 65023554

IUPAC4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESClC1CCC(NCCc2cccs2)CC1
InChIInChI=1S/C12H18ClNS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-2,9-11,14H,3-8H2
InChIKeyKIQNRTIMHHSMJY-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine

4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine (PubChem CID 65023554) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
PubChem CID65023554
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
SMILESClC1CCC(NCCc2cccs2)CC1
InChIInChI=1S/C12H18ClNS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-2,9-11,14H,3-8H2
InChIKeyKIQNRTIMHHSMJY-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810022
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-[2-(thiophen-2-ylmethoxy)ethyl]cyclopropanamine
CID 62485246
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
3-(2-methylpropyl)-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 107427921
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113407448
N-(2-thiophen-2-ylethyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70727079
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 81300569

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine (CID 65023554) is 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine is ClC1CCC(NCCc2cccs2)CC1.
What is the InChIKey of 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
The InChIKey is KIQNRTIMHHSMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c13-10-3-5-11(6-4-10)14-8-7-12-2-1-9-15-12/h1-2,9-11,14H,3-8H2.
What are the key properties of 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine?
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 65023554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).