2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine

C14H24ClNS — CID 106117199

IUPAC2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
SMILESCCCC(CCCl)CNCc1ccc(CC)s1
InChIInChI=1S/C14H24ClNS/c1-3-5-12(8-9-15)10-16-11-14-7-6-13(4-2)17-14/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyUYZZFXZJPARMPI-UHFFFAOYSA-N
MW273.87 g/mol
LogP4.45
Rot. Bonds9

About 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine

2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine (PubChem CID 106117199) has the molecular formula C14H24ClNS and a molecular weight of 273.87 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
PubChem CID106117199
Molecular FormulaC14H24ClNS
Molecular Weight273.87 g/mol
Exact Mass273.13
IUPAC Name2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
SMILESCCCC(CCCl)CNCc1ccc(CC)s1
InChIInChI=1S/C14H24ClNS/c1-3-5-12(8-9-15)10-16-11-14-7-6-13(4-2)17-14/h6-7,12,16H,3-5,8-11H2,1-2H3
InChIKeyUYZZFXZJPARMPI-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.87
LogP ≤ 54.45
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'-[(5-methylthiophen-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 65233196
2-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]pentan-1-amine
CID 106117128
2-(2-chloroethyl)-N-[(2,5-difluorophenyl)methyl]pentan-1-amine
CID 114145599
2-(2-chloroethyl)-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 106117175
1-N-[(5-ethylthiophen-2-yl)methyl]-3,3-dimethylbutane-1,2-diamine
CID 106012081
2-(2-chloroethyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 106117244
1-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentane-1,2-diamine
CID 106012217
2-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]pentan-1-amine
CID 106117164
2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine
CID 106117203
2-(2-chloroethyl)-N-(2,2-difluoroethyl)pentan-1-amine
CID 106117170
2-(2-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]pentan-1-amine
CID 106117057
2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
CID 62505549

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine (CID 106117199) is 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine is CCCC(CCCl)CNCc1ccc(CC)s1.
What is the InChIKey of 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
The InChIKey is UYZZFXZJPARMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNS/c1-3-5-12(8-9-15)10-16-11-14-7-6-13(4-2)17-14/h6-7,12,16H,3-5,8-11H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine?
2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine has a molecular weight of 273.87 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 106117199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).