(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine

C15H26FN — CID 143750184

IUPAC(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine
SMILESC/C=C\C=C(\F)C/C(CCCC)=C(/C)N(C)C
InChIInChI=1S/C15H26FN/c1-6-8-10-14(13(3)17(4)5)12-15(16)11-9-7-2/h7,9,11H,6,8,10,12H2,1-5H3/b9-7-,14-13-,15-11+
InChIKeyOXKWLJARWPXRTP-AQJKYTKMSA-N
MW239.38 g/mol
LogP4.83
Rot. Bonds7

About (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine

(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine (PubChem CID 143750184) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine.

Molecular Properties

Compound Name(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine
PubChem CID143750184
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine
SMILESC/C=C\C=C(\F)C/C(CCCC)=C(/C)N(C)C
InChIInChI=1S/C15H26FN/c1-6-8-10-14(13(3)17(4)5)12-15(16)11-9-7-2/h7,9,11H,6,8,10,12H2,1-5H3/b9-7-,14-13-,15-11+
InChIKeyOXKWLJARWPXRTP-AQJKYTKMSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(dimethyloctadienyl)diethylamine
CID 129811778
(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine
CID 135266370
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140
(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine
CID 143750069
(4Z)-6-[2-fluoro-5-methylidene-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-N,N,7-trimethylocta-1,4,6-trien-2-amine
CID 165038189
1-ethyl-3-(2-fluoroethyl)-5-methyl-4-methylidene-2-[(Z)-prop-1-enyl]pyridine
CID 167018846
3-[(1E,3E)-2,4-difluorobuta-1,3-dienyl]-1-ethyl-2,5-dimethyl-4-methylidenepyridine
CID 167018857
(2Z,4Z)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
CID 173817772
(2E,4E)-4-fluoro-N,N,5-trimethylhepta-2,4-dien-2-amine
CID 143696626
(6E)-N,N-dimethyl-2-[(E)-prop-1-enyl]-6-prop-2-enylidenecyclohexen-1-amine
CID 59083483
(2Z,4E,6Z)-N,N-dimethyl-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-amine
CID 87415404
N,N,3,6-tetramethyldeca-3,5-dien-4-amine
CID 123171830

Frequently Asked Questions

What is the IUPAC name of (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine?
The IUPAC name of (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine (CID 143750184) is (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine.
What is the SMILES notation for (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine?
The canonical SMILES for (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine is C/C=C\C=C(\F)C/C(CCCC)=C(/C)N(C)C.
What is the InChIKey of (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine?
The InChIKey is OXKWLJARWPXRTP-AQJKYTKMSA-N. The full InChI is InChI=1S/C15H26FN/c1-6-8-10-14(13(3)17(4)5)12-15(16)11-9-7-2/h7,9,11H,6,8,10,12H2,1-5H3/b9-7-,14-13-,15-11+.
What are the key properties of (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine?
(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine has a molecular weight of 239.38 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine is sourced from PubChem (CID 143750184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).