N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine

C13H20ClNS — CID 115713605

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)C(NCCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C13H20ClNS/c1-9(2)13(10-3-4-10)15-8-7-11-5-6-12(14)16-11/h5-6,9-10,13,15H,3-4,7-8H2,1-2H3
InChIKeyIEKJCOBCVNPWEV-UHFFFAOYSA-N
MW257.83 g/mol
LogP3.97
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine (PubChem CID 115713605) 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]-1-cyclopropyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
PubChem CID115713605
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
SMILESCC(C)C(NCCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C13H20ClNS/c1-9(2)13(10-3-4-10)15-8-7-11-5-6-12(14)16-11/h5-6,9-10,13,15H,3-4,7-8H2,1-2H3
InChIKeyIEKJCOBCVNPWEV-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 63355483
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879163
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106042121
2-(5-chlorothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 106041995
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CID 106042146
3-[2-(5-chlorothiophen-2-yl)ethylamino]butanoic acid
CID 106036883
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
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CID 115905549

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine (CID 115713605) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine is CC(C)C(NCCc1ccc(Cl)s1)C1CC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine?
The InChIKey is IEKJCOBCVNPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-9(2)13(10-3-4-10)15-8-7-11-5-6-12(14)16-11/h5-6,9-10,13,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine has a molecular weight of 257.83 g/mol, XLogP of 3.97, 6 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]-1-cyclopropyl-2-methylpropan-1-amine is sourced from PubChem (CID 115713605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).