N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine

C10H21NS — CID 170095741

IUPACN-but-1-en-2-yl-1-methylsulfanylpentan-2-amine
SMILESC=C(CC)NC(CCC)CSC
InChIInChI=1S/C10H21NS/c1-5-7-10(8-12-4)11-9(3)6-2/h10-11H,3,5-8H2,1-2,4H3
InChIKeyONTCQAPHXXAVME-UHFFFAOYSA-N
MW187.35 g/mol
LogP3.03
Rot. Bonds7

About N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine

N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine (PubChem CID 170095741) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-1-methylsulfanylpentan-2-amine
PubChem CID170095741
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-but-1-en-2-yl-1-methylsulfanylpentan-2-amine
SMILESC=C(CC)NC(CCC)CSC
InChIInChI=1S/C10H21NS/c1-5-7-10(8-12-4)11-9(3)6-2/h10-11H,3,5-8H2,1-2,4H3
InChIKeyONTCQAPHXXAVME-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine?
The IUPAC name of N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine (CID 170095741) is N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine.
What is the SMILES notation for N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine?
The canonical SMILES for N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine is C=C(CC)NC(CCC)CSC.
What is the InChIKey of N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine?
The InChIKey is ONTCQAPHXXAVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-7-10(8-12-4)11-9(3)6-2/h10-11H,3,5-8H2,1-2,4H3.
What are the key properties of N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine?
N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine has a molecular weight of 187.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-1-methylsulfanylpentan-2-amine is sourced from PubChem (CID 170095741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).