1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine

C11H18N2 — CID 139317934

IUPAC1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine
SMILESC/C=C\NC(N)C1C=CC(C)=CC1
InChIInChI=1S/C11H18N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h3-6,8,10-11,13H,7,12H2,1-2H3/b8-3-
InChIKeyUCJWYKXTJDKUEI-BAQGIRSFSA-N
MW178.28 g/mol
LogP1.92
Rot. Bonds3

About 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine

1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine (PubChem CID 139317934) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine
PubChem CID139317934
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine
SMILESC/C=C\NC(N)C1C=CC(C)=CC1
InChIInChI=1S/C11H18N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h3-6,8,10-11,13H,7,12H2,1-2H3/b8-3-
InChIKeyUCJWYKXTJDKUEI-BAQGIRSFSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine?
The IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine (CID 139317934) is 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine.
What is the SMILES notation for 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine?
The canonical SMILES for 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine is C/C=C\NC(N)C1C=CC(C)=CC1.
What is the InChIKey of 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine?
The InChIKey is UCJWYKXTJDKUEI-BAQGIRSFSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h3-6,8,10-11,13H,7,12H2,1-2H3/b8-3-.
What are the key properties of 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine?
1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine has a molecular weight of 178.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-2,4-dien-1-yl)-N'-[(Z)-prop-1-enyl]methanediamine is sourced from PubChem (CID 139317934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).