N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine

C14H23NS — CID 65308377

IUPACN-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
SMILESCc1ccc(CCCCCCNC2CC2)s1
InChIInChI=1S/C14H23NS/c1-12-7-10-14(16-12)6-4-2-3-5-11-15-13-8-9-13/h7,10,13,15H,2-6,8-9,11H2,1H3
InChIKeyWZABIMDFFWJLAB-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.91
Rot. Bonds8

About N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine

N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine (PubChem CID 65308377) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
PubChem CID65308377
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine
SMILESCc1ccc(CCCCCCNC2CC2)s1
InChIInChI=1S/C14H23NS/c1-12-7-10-14(16-12)6-4-2-3-5-11-15-13-8-9-13/h7,10,13,15H,2-6,8-9,11H2,1H3
InChIKeyWZABIMDFFWJLAB-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine (CID 65308377) is N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine is Cc1ccc(CCCCCCNC2CC2)s1.
What is the InChIKey of N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine?
The InChIKey is WZABIMDFFWJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-12-7-10-14(16-12)6-4-2-3-5-11-15-13-8-9-13/h7,10,13,15H,2-6,8-9,11H2,1H3.
What are the key properties of N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine?
N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine has a molecular weight of 237.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-methylthiophen-2-yl)hexyl]cyclopropanamine is sourced from PubChem (CID 65308377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).