(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine

C17H27FN2 — CID 142488462

IUPAC(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine
SMILESC=NN(C(=C)/C(CC)=C(/C)F)/C(C(=C)CC)=C(/C)CC
InChIInChI=1S/C17H27FN2/c1-9-12(4)17(13(5)10-2)20(19-8)15(7)16(11-3)14(6)18/h4,7-11H2,1-3,5-6H3/b16-14-,17-13-
InChIKeyYWRSRDOFAWFKIQ-RGUYOHOBSA-N
MW278.41 g/mol
LogP5.72
Rot. Bonds8

About (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine

(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine (PubChem CID 142488462) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine.

Molecular Properties

Compound Name(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine
PubChem CID142488462
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine
SMILESC=NN(C(=C)/C(CC)=C(/C)F)/C(C(=C)CC)=C(/C)CC
InChIInChI=1S/C17H27FN2/c1-9-12(4)17(13(5)10-2)20(19-8)15(7)16(11-3)14(6)18/h4,7-11H2,1-3,5-6H3/b16-14-,17-13-
InChIKeyYWRSRDOFAWFKIQ-RGUYOHOBSA-N
XLogP5.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.41
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-[(2E)-6-fluoro-2-methylhepta-2,6-dienyl]-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine
CID 166651367
1-[(2Z)-2-ethylidene-3-fluoro-4-methylpent-3-enyl]-2-methyl-6-methylidene-5-prop-1-en-2-yl-3H-pyridazine
CID 166907430
(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
CID 145404879
(2Z)-5-methyl-4-methylidene-N-(methylideneamino)-N-prop-1-en-2-ylhexa-2,5-dien-3-amine
CID 170967773

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine?
The IUPAC name of (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine (CID 142488462) is (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine.
What is the SMILES notation for (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine?
The canonical SMILES for (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine is C=NN(C(=C)/C(CC)=C(/C)F)/C(C(=C)CC)=C(/C)CC.
What is the InChIKey of (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine?
The InChIKey is YWRSRDOFAWFKIQ-RGUYOHOBSA-N. The full InChI is InChI=1S/C17H27FN2/c1-9-12(4)17(13(5)10-2)20(19-8)15(7)16(11-3)14(6)18/h4,7-11H2,1-3,5-6H3/b16-14-,17-13-.
What are the key properties of (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine?
(Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine has a molecular weight of 278.41 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3Z)-3-ethyl-4-fluoropenta-1,3-dien-2-yl]-3-methyl-5-methylidene-N-(methylideneamino)hept-3-en-4-amine is sourced from PubChem (CID 142488462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).