(3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine

C11H14FN — CID 170748662

IUPAC(3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C)CNC(=C)/C=C/F
InChIInChI=1S/C11H14FN/c1-4-5-6-10(2)9-13-11(3)7-8-12/h4-8,13H,1-3,9H2/b6-5-,8-7+
InChIKeyVCUXCQXUINPFHE-IGTJQSIKSA-N
MW179.24 g/mol
LogP2.87
Rot. Bonds6

About (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine

(3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 170748662) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine
PubChem CID170748662
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C/C=C\C(=C)CNC(=C)/C=C/F
InChIInChI=1S/C11H14FN/c1-4-5-6-10(2)9-13-11(3)7-8-12/h4-8,13H,1-3,9H2/b6-5-,8-7+
InChIKeyVCUXCQXUINPFHE-IGTJQSIKSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
[(3Z)-2-methylidenehexa-3,5-dienyl]hydrazine
CID 143800982
1-[(3Z)-2-methylidenehexa-3,5-dienyl]-3-pyridin-2-ylurea
CID 143608768
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
(6Z)-5-methylidenenona-6,8-dien-1-ol
CID 142368056
ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
CID 143500367
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-[[(3E)-2-methylidenehexa-3,5-dienyl]amino]undecan-2-ol
CID 42614674
(2S)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-[[(3E)-2-methylidenehexa-3,5-dienyl]amino]undecan-2-ol
CID 98082097
N-[(3Z)-hexa-1,3,5-trien-2-yl]-4-methylaniline
CID 177135056

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine (CID 170748662) is (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine is C=C/C=C\C(=C)CNC(=C)/C=C/F.
What is the InChIKey of (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is VCUXCQXUINPFHE-IGTJQSIKSA-N. The full InChI is InChI=1S/C11H14FN/c1-4-5-6-10(2)9-13-11(3)7-8-12/h4-8,13H,1-3,9H2/b6-5-,8-7+.
What are the key properties of (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine?
(3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(3E)-4-fluorobuta-1,3-dien-2-yl]-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 170748662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).