4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine

C12H25NS — CID 79179263

IUPAC4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CSCCC
InChIInChI=1S/C12H25NS/c1-5-7-13-12(9-11(3)4)10-14-8-6-2/h9,12-13H,5-8,10H2,1-4H3
InChIKeyOEYQWDDPBKYXNS-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.46
Rot. Bonds8

About 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine

4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine (PubChem CID 79179263) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine
PubChem CID79179263
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CSCCC
InChIInChI=1S/C12H25NS/c1-5-7-13-12(9-11(3)4)10-14-8-6-2/h9,12-13H,5-8,10H2,1-4H3
InChIKeyOEYQWDDPBKYXNS-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 54024792
CID 54024792
CID 70452161
CID 70452161
CID 79179493
CID 79179493
CID 88539134
CID 88539134
CID 89010968
CID 89010968
CID 89291986
CID 89291986
CID 89375942
CID 89375942
CID 91522422
CID 91522422
CID 123352641
CID 123352641
CID 123441329
CID 123441329
CID 126604338
CID 126604338
CID 129027035
CID 129027035

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine?
The IUPAC name of 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine (CID 79179263) is 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine?
The canonical SMILES for 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine is CCCNC(C=C(C)C)CSCCC.
What is the InChIKey of 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine?
The InChIKey is OEYQWDDPBKYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-7-13-12(9-11(3)4)10-14-8-6-2/h9,12-13H,5-8,10H2,1-4H3.
What are the key properties of 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine?
4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-propylsulfanylpent-3-en-2-amine is sourced from PubChem (CID 79179263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).