N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine

C11H16ClNS — CID 62708727

IUPACN-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-2-5-13-7-8-6-9(8)10-3-4-11(12)14-10/h3-4,8-9,13H,2,5-7H2,1H3
InChIKeyJSBQENPPXKVTRL-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.50
Rot. Bonds5

About N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine

N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine (PubChem CID 62708727) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
PubChem CID62708727
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC NameN-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-2-5-13-7-8-6-9(8)10-3-4-11(12)14-10/h3-4,8-9,13H,2,5-7H2,1H3
InChIKeyJSBQENPPXKVTRL-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine (CID 62708727) is N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1ccc(Cl)s1.
What is the InChIKey of N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is JSBQENPPXKVTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-2-5-13-7-8-6-9(8)10-3-4-11(12)14-10/h3-4,8-9,13H,2,5-7H2,1H3.
What are the key properties of N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine?
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.50, 5 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)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 62708727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).