(3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine

C14H24FN — CID 155197638

IUPAC(3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)C(C)C)CN(C)CCF
InChIInChI=1S/C14H24FN/c1-6-14(12(2)3)8-7-13(4)11-16(5)10-9-15/h6-8,12H,4,9-11H2,1-3,5H3/b8-7-,14-6+
InChIKeyFAEXCJAPDJHRCC-FBOINPIASA-N
MW225.35 g/mol
LogP3.60
Rot. Bonds7

About (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine

(3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine (PubChem CID 155197638) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine
PubChem CID155197638
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)C(C)C)CN(C)CCF
InChIInChI=1S/C14H24FN/c1-6-14(12(2)3)8-7-13(4)11-16(5)10-9-15/h6-8,12H,4,9-11H2,1-3,5H3/b8-7-,14-6+
InChIKeyFAEXCJAPDJHRCC-FBOINPIASA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine with MolForge

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Related Compounds

1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
1-(3-fluorocyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 68393518
4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
1-(5-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 129059918
(3Z,5E)-N-methyl-2-methylidene-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)hepta-3,5-dien-1-amine
CID 130242890
(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
CID 130317615
(2Z,5Z)-5-[(Z)-but-1-enyl]-8-fluoro-N,N,8-trimethylnona-2,5-dien-1-amine
CID 132151936
N-(cyclohexa-1,3-dien-1-ylmethyl)-1-(2-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 134293845
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
CID 134365675

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine (CID 155197638) is (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine is C=C(/C=C\C(=C/C)C(C)C)CN(C)CCF.
What is the InChIKey of (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine?
The InChIKey is FAEXCJAPDJHRCC-FBOINPIASA-N. The full InChI is InChI=1S/C14H24FN/c1-6-14(12(2)3)8-7-13(4)11-16(5)10-9-15/h6-8,12H,4,9-11H2,1-3,5H3/b8-7-,14-6+.
What are the key properties of (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine?
(3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-(2-fluoroethyl)-N-methyl-2-methylidene-5-propan-2-ylhepta-3,5-dien-1-amine is sourced from PubChem (CID 155197638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).