N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine

C14H29NS — CID 135265910

IUPACN-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine
SMILESC=C(CN(CCC)CCCC)SCC(C)C
InChIInChI=1S/C14H29NS/c1-6-8-10-15(9-7-2)11-14(5)16-12-13(3)4/h13H,5-12H2,1-4H3
InChIKeyPQBLUJFVQAMXMW-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.40
Rot. Bonds10

About N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine

N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine (PubChem CID 135265910) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine
PubChem CID135265910
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine
SMILESC=C(CN(CCC)CCCC)SCC(C)C
InChIInChI=1S/C14H29NS/c1-6-8-10-15(9-7-2)11-14(5)16-12-13(3)4/h13H,5-12H2,1-4H3
InChIKeyPQBLUJFVQAMXMW-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine?
The IUPAC name of N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine (CID 135265910) is N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine?
The canonical SMILES for N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine is C=C(CN(CCC)CCCC)SCC(C)C.
What is the InChIKey of N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine?
The InChIKey is PQBLUJFVQAMXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-6-8-10-15(9-7-2)11-14(5)16-12-13(3)4/h13H,5-12H2,1-4H3.
What are the key properties of N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine?
N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfanyl)prop-2-enyl]-N-propylbutan-1-amine is sourced from PubChem (CID 135265910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).