(3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine

C13H23NS — CID 143866493

IUPAC(3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine
SMILESC=C/C=C(\C=C/CCN(C)CCC)SC
InChIInChI=1S/C13H23NS/c1-5-9-13(15-4)10-7-8-12-14(3)11-6-2/h5,7,9-10H,1,6,8,11-12H2,2-4H3/b10-7-,13-9+
InChIKeyNVQWJMRRQGURRP-JWUMZWSUSA-N
MW225.40 g/mol
LogP3.71
Rot. Bonds8

About (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine

(3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine (PubChem CID 143866493) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine
PubChem CID143866493
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name(3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine
SMILESC=C/C=C(\C=C/CCN(C)CCC)SC
InChIInChI=1S/C13H23NS/c1-5-9-13(15-4)10-7-8-12-14(3)11-6-2/h5,7,9-10H,1,6,8,11-12H2,2-4H3/b10-7-,13-9+
InChIKeyNVQWJMRRQGURRP-JWUMZWSUSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-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

(2E,4Z)-N-methyl-4-methylsulfanyl-N-prop-2-enylhexa-2,4-dien-1-amine
CID 21575938
1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 60061033
1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine
CID 89197925
(3Z)-N-methyl-N-propylhexa-3,5-dien-1-amine
CID 90250326
(3E)-N-ethyl-N-methylhexa-3,5-dien-1-amine
CID 90250613
(Z)-N-ethyl-3-ethylsulfanyl-N-methylpent-3-en-1-amine
CID 118617237
N,N-dipropylhexa-3,5-dien-1-amine
CID 123770482
N,N-diethylhexa-3,5-dien-1-amine
CID 123807516
4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
CID 129127064
N-but-3-enyl-N-methyl-3-methylsulfanylbut-3-en-1-amine
CID 139357838
ethane;5-ethenyl-1-methyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine;methane
CID 141953483
(3Z)-N,N-diethylhexa-3,5-dien-1-amine
CID 142430089

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine?
The IUPAC name of (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine (CID 143866493) is (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine.
What is the SMILES notation for (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine?
The canonical SMILES for (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine is C=C/C=C(\C=C/CCN(C)CCC)SC.
What is the InChIKey of (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine?
The InChIKey is NVQWJMRRQGURRP-JWUMZWSUSA-N. The full InChI is InChI=1S/C13H23NS/c1-5-9-13(15-4)10-7-8-12-14(3)11-6-2/h5,7,9-10H,1,6,8,11-12H2,2-4H3/b10-7-,13-9+.
What are the key properties of (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine?
(3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-methyl-5-methylsulfanyl-N-propylocta-3,5,7-trien-1-amine is sourced from PubChem (CID 143866493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).