(3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine

C13H22N2 — CID 134389750

IUPAC(3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine
SMILESC=C(C)C/N=C(C)/C(=C\C)/C=C(/N)CC
InChIInChI=1S/C13H22N2/c1-6-12(8-13(14)7-2)11(5)15-9-10(3)4/h6,8H,3,7,9,14H2,1-2,4-5H3/b12-6-,13-8+,15-11+
InChIKeyJZTNJKODQZRPCL-ZFUBSCRFSA-N
MW206.33 g/mol
LogP3.22
Rot. Bonds5

About (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine

(3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine (PubChem CID 134389750) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine
PubChem CID134389750
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine
SMILESC=C(C)C/N=C(C)/C(=C\C)/C=C(/N)CC
InChIInChI=1S/C13H22N2/c1-6-12(8-13(14)7-2)11(5)15-9-10(3)4/h6,8H,3,7,9,14H2,1-2,4-5H3/b12-6-,13-8+,15-11+
InChIKeyJZTNJKODQZRPCL-ZFUBSCRFSA-N
XLogP3.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine?
The IUPAC name of (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine (CID 134389750) is (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine?
The canonical SMILES for (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine is C=C(C)C/N=C(C)/C(=C\C)/C=C(/N)CC.
What is the InChIKey of (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine?
The InChIKey is JZTNJKODQZRPCL-ZFUBSCRFSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-12(8-13(14)7-2)11(5)15-9-10(3)4/h6,8H,3,7,9,14H2,1-2,4-5H3/b12-6-,13-8+,15-11+.
What are the key properties of (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine?
(3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-[C-methyl-N-(2-methylprop-2-enyl)carbonimidoyl]hepta-3,5-dien-3-amine is sourced from PubChem (CID 134389750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).