N-(3-methylsulfanylpropyl)pent-1-en-2-amine

C9H19NS — CID 155726329

IUPACN-(3-methylsulfanylpropyl)pent-1-en-2-amine
SMILESC=C(CCC)NCCCSC
InChIInChI=1S/C9H19NS/c1-4-6-9(2)10-7-5-8-11-3/h10H,2,4-8H2,1,3H3
InChIKeyYMDPJTVEOXRYTP-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.64
Rot. Bonds7

About N-(3-methylsulfanylpropyl)pent-1-en-2-amine

N-(3-methylsulfanylpropyl)pent-1-en-2-amine (PubChem CID 155726329) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)pent-1-en-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)pent-1-en-2-amine
PubChem CID155726329
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-(3-methylsulfanylpropyl)pent-1-en-2-amine
SMILESC=C(CCC)NCCCSC
InChIInChI=1S/C9H19NS/c1-4-6-9(2)10-7-5-8-11-3/h10H,2,4-8H2,1,3H3
InChIKeyYMDPJTVEOXRYTP-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)pent-1-en-2-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)pent-1-en-2-amine (CID 155726329) is N-(3-methylsulfanylpropyl)pent-1-en-2-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)pent-1-en-2-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)pent-1-en-2-amine is C=C(CCC)NCCCSC.
What is the InChIKey of N-(3-methylsulfanylpropyl)pent-1-en-2-amine?
The InChIKey is YMDPJTVEOXRYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-6-9(2)10-7-5-8-11-3/h10H,2,4-8H2,1,3H3.
What are the key properties of N-(3-methylsulfanylpropyl)pent-1-en-2-amine?
N-(3-methylsulfanylpropyl)pent-1-en-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)pent-1-en-2-amine is sourced from PubChem (CID 155726329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).