N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine

C9H13NS — CID 53275665

IUPACN-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
SMILESCNCC1CC1c1ccsc1
InChIInChI=1S/C9H13NS/c1-10-5-8-4-9(8)7-2-3-11-6-7/h2-3,6,8-10H,4-5H2,1H3
InChIKeyAHJODIBMVKYYTI-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.07
Rot. Bonds3

About N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine

N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine (PubChem CID 53275665) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
PubChem CID53275665
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine
SMILESCNCC1CC1c1ccsc1
InChIInChI=1S/C9H13NS/c1-10-5-8-4-9(8)7-2-3-11-6-7/h2-3,6,8-10H,4-5H2,1H3
InChIKeyAHJODIBMVKYYTI-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine?
The IUPAC name of N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine (CID 53275665) is N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine?
The canonical SMILES for N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine is CNCC1CC1c1ccsc1.
What is the InChIKey of N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine?
The InChIKey is AHJODIBMVKYYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-10-5-8-4-9(8)7-2-3-11-6-7/h2-3,6,8-10H,4-5H2,1H3.
What are the key properties of N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine?
N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine has a molecular weight of 167.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-thiophen-3-ylcyclopropyl)methanamine is sourced from PubChem (CID 53275665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).