(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine

C13H24N2 — CID 154954536

IUPAC(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine
SMILES[H]/N=C/C(/C=C\CC)=C(/C)N(C)CC(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-13(9-14)12(4)15(5)10-11(2)3/h7-9,11,14H,6,10H2,1-5H3/b8-7-,13-12-,14-9+
InChIKeyYHTOUTCSLNHQGK-ZEBFBMFRSA-N
MW208.35 g/mol
LogP3.46
Rot. Bonds6

About (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine

(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine (PubChem CID 154954536) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine
PubChem CID154954536
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine
SMILES[H]/N=C/C(/C=C\CC)=C(/C)N(C)CC(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-13(9-14)12(4)15(5)10-11(2)3/h7-9,11,14H,6,10H2,1-5H3/b8-7-,13-12-,14-9+
InChIKeyYHTOUTCSLNHQGK-ZEBFBMFRSA-N
XLogP3.46
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.46
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 (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine (CID 154954536) is (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine is [H]/N=C/C(/C=C\CC)=C(/C)N(C)CC(C)C.
What is the InChIKey of (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
The InChIKey is YHTOUTCSLNHQGK-ZEBFBMFRSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-7-8-13(9-14)12(4)15(5)10-11(2)3/h7-9,11,14H,6,10H2,1-5H3/b8-7-,13-12-,14-9+.
What are the key properties of (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine?
(2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine has a molecular weight of 208.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-methanimidoyl-N-methyl-N-(2-methylpropyl)hepta-2,4-dien-2-amine is sourced from PubChem (CID 154954536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).