N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine

C9H19NS — CID 139430588

IUPACN-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine
SMILESC=C(CCSC)NCC(C)C
InChIInChI=1S/C9H19NS/c1-8(2)7-10-9(3)5-6-11-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyHGELVORKJQITPS-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.50
Rot. Bonds6

About N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine

N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine (PubChem CID 139430588) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine
PubChem CID139430588
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine
SMILESC=C(CCSC)NCC(C)C
InChIInChI=1S/C9H19NS/c1-8(2)7-10-9(3)5-6-11-4/h8,10H,3,5-7H2,1-2,4H3
InChIKeyHGELVORKJQITPS-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine (CID 139430588) is N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine is C=C(CCSC)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine?
The InChIKey is HGELVORKJQITPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)7-10-9(3)5-6-11-4/h8,10H,3,5-7H2,1-2,4H3.
What are the key properties of N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine?
N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-methylsulfanylbut-1-en-2-amine is sourced from PubChem (CID 139430588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).