N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine

C12H17NS — CID 62713149

IUPACN-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine
SMILESCc1ccc(C2CC2CNC2CC2)s1
InChIInChI=1S/C12H17NS/c1-8-2-5-12(14-8)11-6-9(11)7-13-10-3-4-10/h2,5,9-11,13H,3-4,6-7H2,1H3
InChIKeyXWMHGQUQYXBHRR-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.91
Rot. Bonds4

About N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine

N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 62713149) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine
PubChem CID62713149
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine
SMILESCc1ccc(C2CC2CNC2CC2)s1
InChIInChI=1S/C12H17NS/c1-8-2-5-12(14-8)11-6-9(11)7-13-10-3-4-10/h2,5,9-11,13H,3-4,6-7H2,1H3
InChIKeyXWMHGQUQYXBHRR-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine (CID 62713149) is N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine is Cc1ccc(C2CC2CNC2CC2)s1.
What is the InChIKey of N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is XWMHGQUQYXBHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-8-2-5-12(14-8)11-6-9(11)7-13-10-3-4-10/h2,5,9-11,13H,3-4,6-7H2,1H3.
What are the key properties of N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine?
N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 207.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 62713149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).