3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine

C10H15FN2 — CID 176706612

IUPAC3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
SMILESC=C(N/C=C\C)/C(C)=N/C=C(\C)F
InChIInChI=1S/C10H15FN2/c1-5-6-12-9(3)10(4)13-7-8(2)11/h5-7,12H,3H2,1-2,4H3/b6-5-,8-7+,13-10+
InChIKeyBMLZPYUOMMMTHM-DNTAARRWSA-N
MW182.24 g/mol
LogP2.91
Rot. Bonds4

About 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine

3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine (PubChem CID 176706612) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine.

Molecular Properties

Compound Name3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
PubChem CID176706612
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
SMILESC=C(N/C=C\C)/C(C)=N/C=C(\C)F
InChIInChI=1S/C10H15FN2/c1-5-6-12-9(3)10(4)13-7-8(2)11/h5-7,12H,3H2,1-2,4H3/b6-5-,8-7+,13-10+
InChIKeyBMLZPYUOMMMTHM-DNTAARRWSA-N
XLogP2.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399
N-[(E)-2-amino-1-(ethenylamino)-3-iminobut-1-enyl]ethanimidoyl fluoride
CID 176545884
(E)-N-methyl-1-(1,1,1-trifluorobut-3-en-2-ylideneamino)prop-1-en-2-amine
CID 142933118
(3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine
CID 143954915
3-methyl-2-methylidene-1H-pyrazine
CID 12756597
(Z)-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 88985932
1-(4H-azepin-7-yl)-N-methylmethanamine
CID 91307733
(Z)-2-(but-3-en-2-ylideneamino)prop-1-en-1-amine
CID 117758505
N-methyl-2-[(E)-3-(methylamino)prop-1-enyl]iminobut-3-en-1-amine
CID 122522672
(2E)-4-ethenylimino-N-methylhexa-2,5-dien-3-amine
CID 126552969
N-methyl-2-[(Z)-pent-1-enyl]iminopropan-1-amine
CID 126762207

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine?
The IUPAC name of 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine (CID 176706612) is 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine.
What is the SMILES notation for 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine?
The canonical SMILES for 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine is C=C(N/C=C\C)/C(C)=N/C=C(\C)F.
What is the InChIKey of 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine?
The InChIKey is BMLZPYUOMMMTHM-DNTAARRWSA-N. The full InChI is InChI=1S/C10H15FN2/c1-5-6-12-9(3)10(4)13-7-8(2)11/h5-7,12H,3H2,1-2,4H3/b6-5-,8-7+,13-10+.
What are the key properties of 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine?
3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine has a molecular weight of 182.24 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine is sourced from PubChem (CID 176706612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).