2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C11H16ClNS — CID 65025495

IUPAC2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESClC1CCCCC1NCc1cccs1
InChIInChI=1S/C11H16ClNS/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7,10-11,13H,1-2,5-6,8H2
InChIKeyDAYFBEGZAZKREO-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.39
Rot. Bonds3

About 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65025495) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID65025495
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESClC1CCCCC1NCc1cccs1
InChIInChI=1S/C11H16ClNS/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7,10-11,13H,1-2,5-6,8H2
InChIKeyDAYFBEGZAZKREO-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.39
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

N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
trans-(1R,2R)-1-N-(2-phenylsulfanylethyl)-2-N-(thiophen-2-ylmethyl)cyclohexane-1,2-diamine
CID 118584802
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
N-(thiophen-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726965
2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 131154099
trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
CID 46869807
2-chloro-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
CID 65025555
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 65025495) is 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is ClC1CCCCC1NCc1cccs1.
What is the InChIKey of 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is DAYFBEGZAZKREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h3-4,7,10-11,13H,1-2,5-6,8H2.
What are the key properties of 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65025495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).