(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine

C9H15FN2 — CID 142308838

IUPAC(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine
SMILESC/C=N\CN/C=C\C(C)/C=C/F
InChIInChI=1S/C9H15FN2/c1-3-11-8-12-7-5-9(2)4-6-10/h3-7,9,12H,8H2,1-2H3/b6-4+,7-5-,11-3-
InChIKeyRLHSTVUIMAXPIE-HOBFXWFWSA-N
MW170.23 g/mol
LogP2.26
Rot. Bonds5

About (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine

(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine (PubChem CID 142308838) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine
PubChem CID142308838
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine
SMILESC/C=N\CN/C=C\C(C)/C=C/F
InChIInChI=1S/C9H15FN2/c1-3-11-8-12-7-5-9(2)4-6-10/h3-7,9,12H,8H2,1-2H3/b6-4+,7-5-,11-3-
InChIKeyRLHSTVUIMAXPIE-HOBFXWFWSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-fluoro-N-[(Z)-3-methyliminoprop-1-enyl]penta-1,4-dien-1-amine
CID 130181904
N-[(Z)-1-(ethenylamino)-3-methylpent-1-enyl]ethanimidoyl fluoride
CID 173972411
(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
CID 88579811
(Z,2S)-4-(ethylideneamino)-N,2-dimethylbut-3-en-1-amine
CID 129058668
N-ethyl-2-[(Z)-3-methylbut-1-enyl]iminoethanamine
CID 137401192
ethane;(Z)-N-(2-iminoethyl)-3-methylbut-1-en-1-amine
CID 141779952
(Z)-N-(3-ethenyl-4-methylidene-1H-pyridin-2-yl)ethanimine
CID 143533360
(1Z)-1-[(Z)-ethylideneamino]-N,3-dimethylbuta-1,3-dien-1-amine
CID 143940433
(2E)-2-propylidene-1H-pyrimidine
CID 156574127
N,2-bis(ethenyl)-1-(prop-2-enylideneamino)buta-1,3-dien-1-amine
CID 173759175
N-ethenyl-2-methyl-1-(prop-2-enylideneamino)prop-1-en-1-amine
CID 173799558
(E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine
CID 174011180

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine?
The IUPAC name of (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine (CID 142308838) is (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine?
The canonical SMILES for (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine is C/C=N\CN/C=C\C(C)/C=C/F.
What is the InChIKey of (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine?
The InChIKey is RLHSTVUIMAXPIE-HOBFXWFWSA-N. The full InChI is InChI=1S/C9H15FN2/c1-3-11-8-12-7-5-9(2)4-6-10/h3-7,9,12H,8H2,1-2H3/b6-4+,7-5-,11-3-.
What are the key properties of (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine?
(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine has a molecular weight of 170.23 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine is sourced from PubChem (CID 142308838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).