(1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine

C10H19NS — CID 65353659

IUPAC(1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCC(C)(C)SC1(CN)CC=CC1
InChIInChI=1S/C10H19NS/c1-9(2,3)12-10(8-11)6-4-5-7-10/h4-5H,6-8,11H2,1-3H3
InChIKeyUCBORJLULVYKDP-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.57
Rot. Bonds2

About (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine

(1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine (PubChem CID 65353659) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine.

Molecular Properties

Compound Name(1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine
PubChem CID65353659
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine
SMILESCC(C)(C)SC1(CN)CC=CC1
InChIInChI=1S/C10H19NS/c1-9(2,3)12-10(8-11)6-4-5-7-10/h4-5H,6-8,11H2,1-3H3
InChIKeyUCBORJLULVYKDP-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.57
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 (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine?
The IUPAC name of (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine (CID 65353659) is (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine.
What is the SMILES notation for (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine?
The canonical SMILES for (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine is CC(C)(C)SC1(CN)CC=CC1.
What is the InChIKey of (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine?
The InChIKey is UCBORJLULVYKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2,3)12-10(8-11)6-4-5-7-10/h4-5H,6-8,11H2,1-3H3.
What are the key properties of (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine?
(1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine has a molecular weight of 185.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylsulfanylcyclopent-3-en-1-yl)methanamine is sourced from PubChem (CID 65353659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).