N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine

C13H26N2S — CID 153346625

IUPACN-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine
SMILESC=C(CSCC(=C)NCC(C)CC)NCC
InChIInChI=1S/C13H26N2S/c1-6-11(3)8-15-13(5)10-16-9-12(4)14-7-2/h11,14-15H,4-10H2,1-3H3
InChIKeySBPIDXBPCMPYCI-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.99
Rot. Bonds10

About N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine

N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine (PubChem CID 153346625) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine
PubChem CID153346625
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine
SMILESC=C(CSCC(=C)NCC(C)CC)NCC
InChIInChI=1S/C13H26N2S/c1-6-11(3)8-15-13(5)10-16-9-12(4)14-7-2/h11,14-15H,4-10H2,1-3H3
InChIKeySBPIDXBPCMPYCI-UHFFFAOYSA-N
XLogP2.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine?
The IUPAC name of N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine (CID 153346625) is N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine?
The canonical SMILES for N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine is C=C(CSCC(=C)NCC(C)CC)NCC.
What is the InChIKey of N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine?
The InChIKey is SBPIDXBPCMPYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-6-11(3)8-15-13(5)10-16-9-12(4)14-7-2/h11,14-15H,4-10H2,1-3H3.
What are the key properties of N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine?
N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine has a molecular weight of 242.43 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(ethylamino)prop-2-enylsulfanyl]prop-1-en-2-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 153346625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).