(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine

C15H22FN — CID 138564061

IUPAC(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
SMILESC=CC(=C)C/C=C(C)\C(=C(\F)CC)N(C)C=C
InChIInChI=1S/C15H22FN/c1-7-12(4)10-11-13(5)15(14(16)8-2)17(6)9-3/h7,9,11H,1,3-4,8,10H2,2,5-6H3/b13-11-,15-14-
InChIKeyDZJAPXGGTOBYOB-WABAVOORSA-N
MW235.35 g/mol
LogP4.73
Rot. Bonds7

About (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine

(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine (PubChem CID 138564061) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
PubChem CID138564061
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine
SMILESC=CC(=C)C/C=C(C)\C(=C(\F)CC)N(C)C=C
InChIInChI=1S/C15H22FN/c1-7-12(4)10-11-13(5)15(14(16)8-2)17(6)9-3/h7,9,11H,1,3-4,8,10H2,2,5-6H3/b13-11-,15-14-
InChIKeyDZJAPXGGTOBYOB-WABAVOORSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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9-(fluoromethyl)-4H-quinolizine
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(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
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1-(Difluoromethyl)-2-methylidene-5-propan-2-ylpyridine
CID 117878111
N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
N,N,3-trimethyl-6-(trifluoromethyl)deca-2,4,6-trien-4-amine
CID 123265710
N-(1-cyclopropylideneethyl)-N-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]hexa-2,4-dien-3-amine
CID 123404943
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

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine?
The IUPAC name of (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine (CID 138564061) is (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine.
What is the SMILES notation for (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine?
The canonical SMILES for (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine is C=CC(=C)C/C=C(C)\C(=C(\F)CC)N(C)C=C.
What is the InChIKey of (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine?
The InChIKey is DZJAPXGGTOBYOB-WABAVOORSA-N. The full InChI is InChI=1S/C15H22FN/c1-7-12(4)10-11-13(5)15(14(16)8-2)17(6)9-3/h7,9,11H,1,3-4,8,10H2,2,5-6H3/b13-11-,15-14-.
What are the key properties of (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine?
(3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine has a molecular weight of 235.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-ethenyl-3-fluoro-N,5-dimethyl-8-methylidenedeca-3,5,9-trien-4-amine is sourced from PubChem (CID 138564061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).