(4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine

C18H29F2NS — CID 155217707

IUPAC(4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine
SMILESC=C(N)C/C=C(\F)C(C)C(F)CCSC(C)/C(C)=C/C=C\C
InChIInChI=1S/C18H29F2NS/c1-6-7-8-13(2)16(5)22-12-11-18(20)15(4)17(19)10-9-14(3)21/h6-8,10,15-16,18H,3,9,11-12,21H2,1-2,4-5H3/b7-6-,13-8+,17-10-
InChIKeySALWSXWDIZGTQU-WCUIHYKRSA-N
MW329.50 g/mol
LogP5.71
Rot. Bonds10

About (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine

(4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine (PubChem CID 155217707) has the molecular formula C18H29F2NS and a molecular weight of 329.50 g/mol. Its IUPAC name is (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine
PubChem CID155217707
Molecular FormulaC18H29F2NS
Molecular Weight329.50 g/mol
Exact Mass329.20
IUPAC Name(4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine
SMILESC=C(N)C/C=C(\F)C(C)C(F)CCSC(C)/C(C)=C/C=C\C
InChIInChI=1S/C18H29F2NS/c1-6-7-8-13(2)16(5)22-12-11-18(20)15(4)17(19)10-9-14(3)21/h6-8,10,15-16,18H,3,9,11-12,21H2,1-2,4-5H3/b7-6-,13-8+,17-10-
InChIKeySALWSXWDIZGTQU-WCUIHYKRSA-N
XLogP5.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.50
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine?
The IUPAC name of (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine (CID 155217707) is (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine.
What is the SMILES notation for (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine?
The canonical SMILES for (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine is C=C(N)C/C=C(\F)C(C)C(F)CCSC(C)/C(C)=C/C=C\C.
What is the InChIKey of (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine?
The InChIKey is SALWSXWDIZGTQU-WCUIHYKRSA-N. The full InChI is InChI=1S/C18H29F2NS/c1-6-7-8-13(2)16(5)22-12-11-18(20)15(4)17(19)10-9-14(3)21/h6-8,10,15-16,18H,3,9,11-12,21H2,1-2,4-5H3/b7-6-,13-8+,17-10-.
What are the key properties of (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine?
(4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine has a molecular weight of 329.50 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5,7-difluoro-6-methyl-9-[(3E,5Z)-3-methylhepta-3,5-dien-2-yl]sulfanylnona-1,4-dien-2-amine is sourced from PubChem (CID 155217707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).