(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine

C17H28FN — CID 135266370

IUPAC(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine
SMILESC=C(C)CC(=C)C(=C)/C=C(\CF)N(CCC)CCC
InChIInChI=1S/C17H28FN/c1-7-9-19(10-8-2)17(13-18)12-16(6)15(5)11-14(3)4/h12H,3,5-11,13H2,1-2,4H3/b17-12+
InChIKeyVATNWLSQZRQOMZ-SFQUDFHCSA-N
MW265.42 g/mol
LogP5.04
Rot. Bonds10

About (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine

(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine (PubChem CID 135266370) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine.

Molecular Properties

Compound Name(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine
PubChem CID135266370
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine
SMILESC=C(C)CC(=C)C(=C)/C=C(\CF)N(CCC)CCC
InChIInChI=1S/C17H28FN/c1-7-9-19(10-8-2)17(13-18)12-16(6)15(5)11-14(3)4/h12H,3,5-11,13H2,1-2,4H3/b17-12+
InChIKeyVATNWLSQZRQOMZ-SFQUDFHCSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
CID 130317615
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
CID 138564061
4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine
CID 143106653
(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine
CID 143750069
(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine
CID 143750184
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
(2E,3E)-3-(1-fluoroethylidene)-1,5-dimethyl-2-propylidenepyrrole
CID 144831865

Frequently Asked Questions

What is the IUPAC name of (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine?
The IUPAC name of (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine (CID 135266370) is (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine.
What is the SMILES notation for (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine?
The canonical SMILES for (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine is C=C(C)CC(=C)C(=C)/C=C(\CF)N(CCC)CCC.
What is the InChIKey of (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine?
The InChIKey is VATNWLSQZRQOMZ-SFQUDFHCSA-N. The full InChI is InChI=1S/C17H28FN/c1-7-9-19(10-8-2)17(13-18)12-16(6)15(5)11-14(3)4/h12H,3,5-11,13H2,1-2,4H3/b17-12+.
What are the key properties of (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine?
(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine has a molecular weight of 265.42 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine is sourced from PubChem (CID 135266370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).