6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine

C12H24N2 — CID 130281186

IUPAC6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine
SMILESC=C(C(C)C)C(N)CCCN/C=C\C
InChIInChI=1S/C12H24N2/c1-5-8-14-9-6-7-12(13)11(4)10(2)3/h5,8,10,12,14H,4,6-7,9,13H2,1-3H3/b8-5-
InChIKeyZKCVQZJFIIWQEO-YVMONPNESA-N
MW196.34 g/mol
LogP2.43
Rot. Bonds7

About 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine

6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine (PubChem CID 130281186) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine.

Molecular Properties

Compound Name6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine
PubChem CID130281186
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine
SMILESC=C(C(C)C)C(N)CCCN/C=C\C
InChIInChI=1S/C12H24N2/c1-5-8-14-9-6-7-12(13)11(4)10(2)3/h5,8,10,12,14H,4,6-7,9,13H2,1-3H3/b8-5-
InChIKeyZKCVQZJFIIWQEO-YVMONPNESA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine?
The IUPAC name of 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine (CID 130281186) is 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine.
What is the SMILES notation for 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine?
The canonical SMILES for 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine is C=C(C(C)C)C(N)CCCN/C=C\C.
What is the InChIKey of 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine?
The InChIKey is ZKCVQZJFIIWQEO-YVMONPNESA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-14-9-6-7-12(13)11(4)10(2)3/h5,8,10,12,14H,4,6-7,9,13H2,1-3H3/b8-5-.
What are the key properties of 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine?
6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylidene-1-N-[(Z)-prop-1-enyl]heptane-1,4-diamine is sourced from PubChem (CID 130281186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).