1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine

C11H23N3 — CID 129109537

IUPAC1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine
SMILESC=C(N)NCCCC(N)C(=C)C(C)C
InChIInChI=1S/C11H23N3/c1-8(2)9(3)11(13)6-5-7-14-10(4)12/h8,11,14H,3-7,12-13H2,1-2H3
InChIKeyVLEUOJMEOLSDQM-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.33
Rot. Bonds7

About 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine

1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine (PubChem CID 129109537) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine
PubChem CID129109537
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine
SMILESC=C(N)NCCCC(N)C(=C)C(C)C
InChIInChI=1S/C11H23N3/c1-8(2)9(3)11(13)6-5-7-14-10(4)12/h8,11,14H,3-7,12-13H2,1-2H3
InChIKeyVLEUOJMEOLSDQM-UHFFFAOYSA-N
XLogP1.33
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine?
The IUPAC name of 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine (CID 129109537) is 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine.
What is the SMILES notation for 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine?
The canonical SMILES for 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine is C=C(N)NCCCC(N)C(=C)C(C)C.
What is the InChIKey of 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine?
The InChIKey is VLEUOJMEOLSDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8(2)9(3)11(13)6-5-7-14-10(4)12/h8,11,14H,3-7,12-13H2,1-2H3.
What are the key properties of 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine?
1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-aminoethenyl)-6-methyl-5-methylideneheptane-1,4-diamine is sourced from PubChem (CID 129109537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).