(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine

C15H31FN2 — CID 139423571

IUPAC(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine
SMILESCC[C@](C)(CCNC)C[C@@](C)(F)C/C=C\[C@@H](C)N
InChIInChI=1S/C15H31FN2/c1-6-14(3,10-11-18-5)12-15(4,16)9-7-8-13(2)17/h7-8,13,18H,6,9-12,17H2,1-5H3/b8-7-/t13-,14-,15+/m1/s1
InChIKeyCTWMEUFPWPRHBQ-ODDKPAMPSA-N
MW258.42 g/mol
LogP3.42
Rot. Bonds9

About (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine

(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine (PubChem CID 139423571) has the molecular formula C15H31FN2 and a molecular weight of 258.42 g/mol. Its IUPAC name is (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine.

Molecular Properties

Compound Name(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine
PubChem CID139423571
Molecular FormulaC15H31FN2
Molecular Weight258.42 g/mol
Exact Mass258.25
IUPAC Name(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine
SMILESCC[C@](C)(CCNC)C[C@@](C)(F)C/C=C\[C@@H](C)N
InChIInChI=1S/C15H31FN2/c1-6-14(3,10-11-18-5)12-15(4,16)9-7-8-13(2)17/h7-8,13,18H,6,9-12,17H2,1-5H3/b8-7-/t13-,14-,15+/m1/s1
InChIKeyCTWMEUFPWPRHBQ-ODDKPAMPSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine 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 (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine?
The IUPAC name of (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine (CID 139423571) is (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine.
What is the SMILES notation for (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine?
The canonical SMILES for (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine is CC[C@](C)(CCNC)C[C@@](C)(F)C/C=C\[C@@H](C)N.
What is the InChIKey of (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine?
The InChIKey is CTWMEUFPWPRHBQ-ODDKPAMPSA-N. The full InChI is InChI=1S/C15H31FN2/c1-6-14(3,10-11-18-5)12-15(4,16)9-7-8-13(2)17/h7-8,13,18H,6,9-12,17H2,1-5H3/b8-7-/t13-,14-,15+/m1/s1.
What are the key properties of (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine?
(Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine has a molecular weight of 258.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R,5S,9R)-3-ethyl-5-fluoro-1-N,3,5-trimethyldec-7-ene-1,9-diamine is sourced from PubChem (CID 139423571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).