(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine

C10H13FN2 — CID 153350435

IUPAC(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
SMILESC=CC(=C)C(=C)/C(F)=C(/CN)N=C
InChIInChI=1S/C10H13FN2/c1-5-7(2)8(3)10(11)9(6-12)13-4/h5H,1-4,6,12H2/b10-9+
InChIKeyIAOWKXYEMDMVQQ-MDZDMXLPSA-N
MW180.23 g/mol
LogP2.13
Rot. Bonds5

About (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine

(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine (PubChem CID 153350435) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
PubChem CID153350435
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
SMILESC=CC(=C)C(=C)/C(F)=C(/CN)N=C
InChIInChI=1S/C10H13FN2/c1-5-7(2)8(3)10(11)9(6-12)13-4/h5H,1-4,6,12H2/b10-9+
InChIKeyIAOWKXYEMDMVQQ-MDZDMXLPSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 145224791
(Z)-[(6Z)-6-[1-(methylideneamino)propylidene]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 88995130
2-Butylidene-5-[1-(methylideneamino)ethylidene]nona-3,6-diene-1,9-diamine
CID 91291281
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
CID 142082739
ethane;(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dien-1-amine
CID 142083303
(2Z,4Z)-2-(methylideneamino)hepta-2,4-dien-1-amine
CID 143713031
(3Z,7Z)-5,6-dimethylidene-8-(methylideneamino)octa-1,3,7-trien-2-amine
CID 144398946
(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine
CID 144614866
ethane;(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
CID 153350434
(Z)-2-cyclohepta-1,4,6-trien-1-yl-2-(methylideneamino)ethenamine
CID 156233104
(2Z,4Z)-4-methyl-2-(methylideneamino)hepta-2,4-dien-1-amine
CID 156308125

Frequently Asked Questions

What is the IUPAC name of (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine?
The IUPAC name of (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine (CID 153350435) is (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine is C=CC(=C)C(=C)/C(F)=C(/CN)N=C.
What is the InChIKey of (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine?
The InChIKey is IAOWKXYEMDMVQQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H13FN2/c1-5-7(2)8(3)10(11)9(6-12)13-4/h5H,1-4,6,12H2/b10-9+.
What are the key properties of (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine?
(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine has a molecular weight of 180.23 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine is sourced from PubChem (CID 153350435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).