N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine

C12H25NS — CID 79177956

IUPACN-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
SMILESCCNC(C=C(C)C)CSCC(C)C
InChIInChI=1S/C12H25NS/c1-6-13-12(7-10(2)3)9-14-8-11(4)5/h7,11-13H,6,8-9H2,1-5H3
InChIKeyQAZRZFDMJBFJDZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.32
Rot. Bonds7

About N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine

N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine (PubChem CID 79177956) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
PubChem CID79177956
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
SMILESCCNC(C=C(C)C)CSCC(C)C
InChIInChI=1S/C12H25NS/c1-6-13-12(7-10(2)3)9-14-8-11(4)5/h7,11-13H,6,8-9H2,1-5H3
InChIKeyQAZRZFDMJBFJDZ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine (CID 79177956) is N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine is CCNC(C=C(C)C)CSCC(C)C.
What is the InChIKey of N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
The InChIKey is QAZRZFDMJBFJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-6-13-12(7-10(2)3)9-14-8-11(4)5/h7,11-13H,6,8-9H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine?
N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine is sourced from PubChem (CID 79177956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).