(2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine

C11H18N2 — CID 166837774

IUPAC(2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine
SMILES[H]/N=C/C(C/C(=C/C)NC=C)=C(C)C
InChIInChI=1S/C11H18N2/c1-5-11(13-6-2)7-10(8-12)9(3)4/h5-6,8,12-13H,2,7H2,1,3-4H3/b11-5-,12-8+
InChIKeyAXGDCRNGJNZHRS-VKNHIIESSA-N
MW178.28 g/mol
LogP3.00
Rot. Bonds5

About (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine

(2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine (PubChem CID 166837774) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine.

Molecular Properties

Compound Name(2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine
PubChem CID166837774
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine
SMILES[H]/N=C/C(C/C(=C/C)NC=C)=C(C)C
InChIInChI=1S/C11H18N2/c1-5-11(13-6-2)7-10(8-12)9(3)4/h5-6,8,12-13H,2,7H2,1,3-4H3/b11-5-,12-8+
InChIKeyAXGDCRNGJNZHRS-VKNHIIESSA-N
XLogP3.00
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine?
The IUPAC name of (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine (CID 166837774) is (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine.
What is the SMILES notation for (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine?
The canonical SMILES for (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine is [H]/N=C/C(C/C(=C/C)NC=C)=C(C)C.
What is the InChIKey of (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine?
The InChIKey is AXGDCRNGJNZHRS-VKNHIIESSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-11(13-6-2)7-10(8-12)9(3)4/h5-6,8,12-13H,2,7H2,1,3-4H3/b11-5-,12-8+.
What are the key properties of (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine?
(2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethenyl-5-methanimidoyl-6-methylhepta-2,5-dien-3-amine is sourced from PubChem (CID 166837774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).