1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine

C9H15N3 — CID 130390393

IUPAC1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine
SMILESC=NC(N/C=C\C)C(=C)/C=N/C
InChIInChI=1S/C9H15N3/c1-5-6-12-9(11-4)8(2)7-10-3/h5-7,9,12H,2,4H2,1,3H3/b6-5-,10-7+
InChIKeyYCWGEWQKWWYFGQ-ZZWPSLBBSA-N
MW165.24 g/mol
LogP1.39
Rot. Bonds5

About 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine

1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine (PubChem CID 130390393) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine.

Molecular Properties

Compound Name1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine
PubChem CID130390393
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine
SMILESC=NC(N/C=C\C)C(=C)/C=N/C
InChIInChI=1S/C9H15N3/c1-5-6-12-9(11-4)8(2)7-10-3/h5-7,9,12H,2,4H2,1,3H3/b6-5-,10-7+
InChIKeyYCWGEWQKWWYFGQ-ZZWPSLBBSA-N
XLogP1.39
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine?
The IUPAC name of 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine (CID 130390393) is 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine.
What is the SMILES notation for 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine?
The canonical SMILES for 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine is C=NC(N/C=C\C)C(=C)/C=N/C.
What is the InChIKey of 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine?
The InChIKey is YCWGEWQKWWYFGQ-ZZWPSLBBSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-6-12-9(11-4)8(2)7-10-3/h5-7,9,12H,2,4H2,1,3H3/b6-5-,10-7+.
What are the key properties of 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine?
1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylideneamino)-2-(methyliminomethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-amine is sourced from PubChem (CID 130390393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).