(4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen

C9H18N2 — CID 143115352

IUPAC(4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen
SMILESC=C/C=C\C(CCNC)=N\C.[H][H]
InChIInChI=1S/C9H16N2.H2/c1-4-5-6-9(11-3)7-8-10-2;/h4-6,10H,1,7-8H2,2-3H3;1H/b6-5-,11-9-;
InChIKeyJFVVIBZTPQTELL-XCHYLKOASA-N
MW154.26 g/mol
LogP1.65
Rot. Bonds5

About (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen

(4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen (PubChem CID 143115352) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen
PubChem CID143115352
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen
SMILESC=C/C=C\C(CCNC)=N\C.[H][H]
InChIInChI=1S/C9H16N2.H2/c1-4-5-6-9(11-3)7-8-10-2;/h4-6,10H,1,7-8H2,2-3H3;1H/b6-5-,11-9-;
InChIKeyJFVVIBZTPQTELL-XCHYLKOASA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
The IUPAC name of (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen (CID 143115352) is (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen.
What is the SMILES notation for (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
The canonical SMILES for (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen is C=C/C=C\C(CCNC)=N\C.[H][H].
What is the InChIKey of (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
The InChIKey is JFVVIBZTPQTELL-XCHYLKOASA-N. The full InChI is InChI=1S/C9H16N2.H2/c1-4-5-6-9(11-3)7-8-10-2;/h4-6,10H,1,7-8H2,2-3H3;1H/b6-5-,11-9-;.
What are the key properties of (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen?
(4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen has a molecular weight of 154.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-methyl-3-methyliminohepta-4,6-dien-1-amine;molecular hydrogen is sourced from PubChem (CID 143115352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).