(2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine

C8H16FN3 — CID 146550792

IUPAC(2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine
SMILESCC(=C/CN)/C(F)=C\CN(C)N
InChIInChI=1S/C8H16FN3/c1-7(3-5-10)8(9)4-6-12(2)11/h3-4H,5-6,10-11H2,1-2H3/b7-3-,8-4+
InChIKeyLSKUVRHZPJIGEG-KYPMKJFLSA-N
MW173.23 g/mol
LogP0.55
Rot. Bonds4

About (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine

(2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine (PubChem CID 146550792) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine
PubChem CID146550792
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name(2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine
SMILESCC(=C/CN)/C(F)=C\CN(C)N
InChIInChI=1S/C8H16FN3/c1-7(3-5-10)8(9)4-6-12(2)11/h3-4H,5-6,10-11H2,1-2H3/b7-3-,8-4+
InChIKeyLSKUVRHZPJIGEG-KYPMKJFLSA-N
XLogP0.55
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine (CID 146550792) is (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine is CC(=C/CN)/C(F)=C\CN(C)N.
What is the InChIKey of (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine?
The InChIKey is LSKUVRHZPJIGEG-KYPMKJFLSA-N. The full InChI is InChI=1S/C8H16FN3/c1-7(3-5-10)8(9)4-6-12(2)11/h3-4H,5-6,10-11H2,1-2H3/b7-3-,8-4+.
What are the key properties of (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine?
(2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine has a molecular weight of 173.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-[amino(methyl)amino]-4-fluoro-3-methylhexa-2,4-dien-1-amine is sourced from PubChem (CID 146550792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).