N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine

C12H19NS — CID 102838929

IUPACN-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
SMILESCc1sccc1C(C)CCNC1CC1
InChIInChI=1S/C12H19NS/c1-9(5-7-13-11-3-4-11)12-6-8-14-10(12)2/h6,8-9,11,13H,3-5,7H2,1-2H3
InChIKeyKXPNEMPNKPSNIL-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.30
Rot. Bonds5

About N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine

N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine (PubChem CID 102838929) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
PubChem CID102838929
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
SMILESCc1sccc1C(C)CCNC1CC1
InChIInChI=1S/C12H19NS/c1-9(5-7-13-11-3-4-11)12-6-8-14-10(12)2/h6,8-9,11,13H,3-5,7H2,1-2H3
InChIKeyKXPNEMPNKPSNIL-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine (CID 102838929) is N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine is Cc1sccc1C(C)CCNC1CC1.
What is the InChIKey of N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine?
The InChIKey is KXPNEMPNKPSNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9(5-7-13-11-3-4-11)12-6-8-14-10(12)2/h6,8-9,11,13H,3-5,7H2,1-2H3.
What are the key properties of N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine?
N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine has a molecular weight of 209.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine is sourced from PubChem (CID 102838929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).