N-(5-methylhex-5-en-3-ylsulfanyl)methanamine

C8H17NS — CID 143610831

IUPACN-(5-methylhex-5-en-3-ylsulfanyl)methanamine
SMILESC=C(C)CC(CC)SNC
InChIInChI=1S/C8H17NS/c1-5-8(10-9-4)6-7(2)3/h8-9H,2,5-6H2,1,3-4H3
InChIKeyJJJMWFJHZVAOPP-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.60
Rot. Bonds5

About N-(5-methylhex-5-en-3-ylsulfanyl)methanamine

N-(5-methylhex-5-en-3-ylsulfanyl)methanamine (PubChem CID 143610831) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-(5-methylhex-5-en-3-ylsulfanyl)methanamine.

Molecular Properties

Compound NameN-(5-methylhex-5-en-3-ylsulfanyl)methanamine
PubChem CID143610831
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-(5-methylhex-5-en-3-ylsulfanyl)methanamine
SMILESC=C(C)CC(CC)SNC
InChIInChI=1S/C8H17NS/c1-5-8(10-9-4)6-7(2)3/h8-9H,2,5-6H2,1,3-4H3
InChIKeyJJJMWFJHZVAOPP-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhex-5-en-3-ylsulfanyl)methanamine?
The IUPAC name of N-(5-methylhex-5-en-3-ylsulfanyl)methanamine (CID 143610831) is N-(5-methylhex-5-en-3-ylsulfanyl)methanamine.
What is the SMILES notation for N-(5-methylhex-5-en-3-ylsulfanyl)methanamine?
The canonical SMILES for N-(5-methylhex-5-en-3-ylsulfanyl)methanamine is C=C(C)CC(CC)SNC.
What is the InChIKey of N-(5-methylhex-5-en-3-ylsulfanyl)methanamine?
The InChIKey is JJJMWFJHZVAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-8(10-9-4)6-7(2)3/h8-9H,2,5-6H2,1,3-4H3.
What are the key properties of N-(5-methylhex-5-en-3-ylsulfanyl)methanamine?
N-(5-methylhex-5-en-3-ylsulfanyl)methanamine has a molecular weight of 159.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhex-5-en-3-ylsulfanyl)methanamine is sourced from PubChem (CID 143610831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).