(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine

C9H16N2 — CID 170583082

IUPAC(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine
SMILESC=C/C=C\C(=N/C)C(C)(C)N
InChIInChI=1S/C9H16N2/c1-5-6-7-8(11-4)9(2,3)10/h5-7H,1,10H2,2-4H3/b7-6-,11-8+
InChIKeyIZBKQWILLPQMKN-BQGCWICQSA-N
MW152.24 g/mol
LogP1.54
Rot. Bonds3

About (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine

(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine (PubChem CID 170583082) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine
PubChem CID170583082
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine
SMILESC=C/C=C\C(=N/C)C(C)(C)N
InChIInChI=1S/C9H16N2/c1-5-6-7-8(11-4)9(2,3)10/h5-7H,1,10H2,2-4H3/b7-6-,11-8+
InChIKeyIZBKQWILLPQMKN-BQGCWICQSA-N
XLogP1.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.54
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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Related Compounds

6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
2-methyl-3-methyliminopent-4-en-2-ol
CID 145069918
CID 178166242
CID 178166242
(Z)-N,2,2,7,7-pentamethyl-6-methylideneoct-4-en-3-imine
CID 169243501
(3Z)-N-ethenyl-6-hexyl-6-methyldodeca-1,3-dien-5-imine
CID 138502761
(3E,5Z)-5-bromo-7,7-dimethylocta-1,3,5-triene
CID 12002581
(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 87414942
ethane;(3Z)-N-methyl-2-methyliminohexa-3,5-dien-1-amine
CID 142087922
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine?
The IUPAC name of (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine (CID 170583082) is (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine.
What is the SMILES notation for (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine?
The canonical SMILES for (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine is C=C/C=C\C(=N/C)C(C)(C)N.
What is the InChIKey of (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine?
The InChIKey is IZBKQWILLPQMKN-BQGCWICQSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-7-8(11-4)9(2,3)10/h5-7H,1,10H2,2-4H3/b7-6-,11-8+.
What are the key properties of (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine?
(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine is sourced from PubChem (CID 170583082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).