N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine

C8H13NS — CID 138478273

IUPACN-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1CC=CS1
InChIInChI=1S/C8H13NS/c1-7(2)9-6-8-4-3-5-10-8/h3,5,8-9H,1,4,6H2,2H3
InChIKeyIMNLHANREYWANR-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.13
Rot. Bonds3

About N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine

N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine (PubChem CID 138478273) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine
PubChem CID138478273
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine
SMILESC=C(C)NCC1CC=CS1
InChIInChI=1S/C8H13NS/c1-7(2)9-6-8-4-3-5-10-8/h3,5,8-9H,1,4,6H2,2H3
InChIKeyIMNLHANREYWANR-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine?
The IUPAC name of N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine (CID 138478273) is N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine?
The canonical SMILES for N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine is C=C(C)NCC1CC=CS1.
What is the InChIKey of N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine?
The InChIKey is IMNLHANREYWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-7(2)9-6-8-4-3-5-10-8/h3,5,8-9H,1,4,6H2,2H3.
What are the key properties of N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine?
N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine has a molecular weight of 155.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrothiophen-2-ylmethyl)prop-1-en-2-amine is sourced from PubChem (CID 138478273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).