2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine

C12H23NS — CID 103068548

IUPAC2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CSC1CCCC1
InChIInChI=1S/C12H23NS/c1-10(2)13-8-11(3)9-14-12-6-4-5-7-12/h10,12-13H,3-9H2,1-2H3
InChIKeyRMECDQYINOQVKG-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.22
Rot. Bonds6

About 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine

2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103068548) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103068548
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CSC1CCCC1
InChIInChI=1S/C12H23NS/c1-10(2)13-8-11(3)9-14-12-6-4-5-7-12/h10,12-13H,3-9H2,1-2H3
InChIKeyRMECDQYINOQVKG-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103068548) is 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CSC1CCCC1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is RMECDQYINOQVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(2)13-8-11(3)9-14-12-6-4-5-7-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103068548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).