[4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine

C12H19N3 — CID 166776689

IUPAC[4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine
SMILESC/C=C\N(N)c1ccc(CN)c(CC)c1
InChIInChI=1S/C12H19N3/c1-3-7-15(14)12-6-5-11(9-13)10(4-2)8-12/h3,5-8H,4,9,13-14H2,1-2H3/b7-3-
InChIKeyXQFXUYWYOHIJIG-CLTKARDFSA-N
MW205.30 g/mol
LogP1.92
Rot. Bonds4

About [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine

[4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine (PubChem CID 166776689) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine
PubChem CID166776689
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name[4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine
SMILESC/C=C\N(N)c1ccc(CN)c(CC)c1
InChIInChI=1S/C12H19N3/c1-3-7-15(14)12-6-5-11(9-13)10(4-2)8-12/h3,5-8H,4,9,13-14H2,1-2H3/b7-3-
InChIKeyXQFXUYWYOHIJIG-CLTKARDFSA-N
XLogP1.92
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.92
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'}

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Frequently Asked Questions

What is the IUPAC name of [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine?
The IUPAC name of [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine (CID 166776689) is [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine.
What is the SMILES notation for [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine?
The canonical SMILES for [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine is C/C=C\N(N)c1ccc(CN)c(CC)c1.
What is the InChIKey of [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine?
The InChIKey is XQFXUYWYOHIJIG-CLTKARDFSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-7-15(14)12-6-5-11(9-13)10(4-2)8-12/h3,5-8H,4,9,13-14H2,1-2H3/b7-3-.
What are the key properties of [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine?
[4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[amino-[(Z)-prop-1-enyl]amino]-2-ethylphenyl]methanamine is sourced from PubChem (CID 166776689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).