(3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine

C14H25NS — CID 130195812

IUPAC(3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(CC)\C(=C/C)SC)N(C)CCC
InChIInChI=1S/C14H25NS/c1-7-11-15(5)13(9-3)12(8-2)14(10-4)16-6/h9-10H,3,7-8,11H2,1-2,4-6H3/b13-12+,14-10+
InChIKeyYLJVGZJAUTWQSV-GTDMLIFZSA-N
MW239.43 g/mol
LogP4.45
Rot. Bonds7

About (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine

(3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine (PubChem CID 130195812) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine
PubChem CID130195812
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name(3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C(CC)\C(=C/C)SC)N(C)CCC
InChIInChI=1S/C14H25NS/c1-7-11-15(5)13(9-3)12(8-2)14(10-4)16-6/h9-10H,3,7-8,11H2,1-2,4-6H3/b13-12+,14-10+
InChIKeyYLJVGZJAUTWQSV-GTDMLIFZSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-N,N-diethyl-4-methyl-3-methylsulfanylcyclobuta-1,3-dien-1-amine
CID 134888366
1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine
CID 89197925
N-hexa-2,4-dien-3-yl-2,9-dimethyl-8-propan-2-ylsulfanyl-N-propyldeca-1,3,5,8-tetraen-4-amine
CID 123544689
N,N-dimethyl-1-(6-methylsulfanylcyclohepta-1,4,6-trien-1-yl)ethenamine
CID 129060229
(2E)-2-butylidene-5-methyl-1-[(E)-2-methylsulfanylprop-1-enyl]pyridine
CID 129124763
(2E,4E)-N,3-dimethyl-4-methylsulfanyl-N-propylhexa-2,4-dien-2-amine
CID 130195811
ethane;5-ethenyl-1-methyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine;methane
CID 141953483
5-ethenyl-1-methyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 141953484
(3Z)-N,5-dimethyl-N-(2-methylsulfanylethyl)hexa-1,3,5-trien-2-amine
CID 145648778
5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine
CID 146292594
3,4-dimethyl-2-[(3E,5Z)-8-methylnona-3,5,7-trien-4-yl]-2H-1,3-thiazole
CID 146351729
(3Z)-2,4-dimethyl-3-[methyl(prop-2-enyl)amino]hexa-3,5-diene-2-thiol
CID 146429775

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine (CID 130195812) is (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine is C=C/C(=C(CC)\C(=C/C)SC)N(C)CCC.
What is the InChIKey of (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine?
The InChIKey is YLJVGZJAUTWQSV-GTDMLIFZSA-N. The full InChI is InChI=1S/C14H25NS/c1-7-11-15(5)13(9-3)12(8-2)14(10-4)16-6/h9-10H,3,7-8,11H2,1-2,4-6H3/b13-12+,14-10+.
What are the key properties of (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine?
(3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine has a molecular weight of 239.43 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-ethyl-N-methyl-5-methylsulfanyl-N-propylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 130195812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).