(3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine

C13H25FNP — CID 126548941

IUPAC(3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine
SMILESCC/C=C(/F)C(C)/C=C(\CCP)N(C)CC
InChIInChI=1S/C13H25FNP/c1-5-7-13(14)11(3)10-12(8-9-16)15(4)6-2/h7,10-11H,5-6,8-9,16H2,1-4H3/b12-10+,13-7+
InChIKeyHYNUNCTUQGLADG-PVYBRLDNSA-N
MW245.32 g/mol
LogP3.99
Rot. Bonds7

About (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine

(3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine (PubChem CID 126548941) has the molecular formula C13H25FNP and a molecular weight of 245.32 g/mol. Its IUPAC name is (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine.

Molecular Properties

Compound Name(3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine
PubChem CID126548941
Molecular FormulaC13H25FNP
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine
SMILESCC/C=C(/F)C(C)/C=C(\CCP)N(C)CC
InChIInChI=1S/C13H25FNP/c1-5-7-13(14)11(3)10-12(8-9-16)15(4)6-2/h7,10-11H,5-6,8-9,16H2,1-4H3/b12-10+,13-7+
InChIKeyHYNUNCTUQGLADG-PVYBRLDNSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
CID 144760644
(Z)-N-ethyl-5,5,5-trifluoro-N,4-dimethylpent-2-en-3-amine
CID 144760645
(Z)-N-methyl-N-(2-methylpropyl)pent-2-en-2-amine
CID 130420461
(Z)-N-ethyl-N,4-dimethylpent-2-en-3-amine
CID 135253828
(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane
CID 142258336
(Z)-N,4-dimethyl-N-(2-methylpropyl)pent-2-en-3-amine
CID 146647601
(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine
CID 142258337

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine?
The IUPAC name of (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine (CID 126548941) is (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine.
What is the SMILES notation for (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine?
The canonical SMILES for (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine is CC/C=C(/F)C(C)/C=C(\CCP)N(C)CC.
What is the InChIKey of (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine?
The InChIKey is HYNUNCTUQGLADG-PVYBRLDNSA-N. The full InChI is InChI=1S/C13H25FNP/c1-5-7-13(14)11(3)10-12(8-9-16)15(4)6-2/h7,10-11H,5-6,8-9,16H2,1-4H3/b12-10+,13-7+.
What are the key properties of (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine?
(3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine has a molecular weight of 245.32 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-N-ethyl-6-fluoro-N,5-dimethyl-1-phosphanylnona-3,6-dien-3-amine is sourced from PubChem (CID 126548941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).