(3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine

C10H15FN2 — CID 143954915

IUPAC(3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine
SMILESC=C(NC=CC)/C(F)=C\N=C(C)C
InChIInChI=1S/C10H15FN2/c1-5-6-12-9(4)10(11)7-13-8(2)3/h5-7,12H,4H2,1-3H3/b6-5?,10-7+
InChIKeyVEUFIFBVEHYZEM-JDVLXEGBSA-N
MW182.24 g/mol
LogP2.91
Rot. Bonds4

About (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine

(3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine (PubChem CID 143954915) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine
PubChem CID143954915
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name(3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine
SMILESC=C(NC=CC)/C(F)=C\N=C(C)C
InChIInChI=1S/C10H15FN2/c1-5-6-12-9(4)10(11)7-13-8(2)3/h5-7,12H,4H2,1-3H3/b6-5?,10-7+
InChIKeyVEUFIFBVEHYZEM-JDVLXEGBSA-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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-fluoro-N-methyl-4-(propan-2-ylideneamino)buta-1,3-dien-2-amine
CID 130336730
3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
CID 176706612
N-[(Z)-2-(propan-2-ylideneamino)ethenyl]prop-1-en-2-amine
CID 89152929
(1E,3E,5E)-6-(butan-2-ylideneamino)-1-N-methylhexa-1,3,5-triene-1,3-diamine
CID 163556785
(Z)-N-methyl-3-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167287780
ethane;3-[(E)-2-fluoroprop-1-enyl]imino-N-[(Z)-prop-1-enyl]but-1-en-2-amine
CID 176706611

Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine?
The IUPAC name of (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine (CID 143954915) is (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine?
The canonical SMILES for (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine is C=C(NC=CC)/C(F)=C\N=C(C)C.
What is the InChIKey of (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine?
The InChIKey is VEUFIFBVEHYZEM-JDVLXEGBSA-N. The full InChI is InChI=1S/C10H15FN2/c1-5-6-12-9(4)10(11)7-13-8(2)3/h5-7,12H,4H2,1-3H3/b6-5?,10-7+.
What are the key properties of (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine?
(3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-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 (3E)-3-fluoro-4-(propan-2-ylideneamino)-N-prop-1-enylbuta-1,3-dien-2-amine is sourced from PubChem (CID 143954915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).