(4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide

C11H18N4 — CID 166079276

IUPAC(4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide
SMILES[H]/N=C/N(C)/C(CC/C=C\C=C(\N)C=C)=N/[H]
InChIInChI=1S/C11H18N4/c1-3-10(13)7-5-4-6-8-11(14)15(2)9-12/h3-5,7,9,12,14H,1,6,8,13H2,2H3/b5-4-,10-7+,12-9+,14-11+
InChIKeyUQOTUJCYMINQFM-QAWMIOIWSA-N
MW206.29 g/mol
LogP1.87
Rot. Bonds6

About (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide

(4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide (PubChem CID 166079276) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide.

Molecular Properties

Compound Name(4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide
PubChem CID166079276
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide
SMILES[H]/N=C/N(C)/C(CC/C=C\C=C(\N)C=C)=N/[H]
InChIInChI=1S/C11H18N4/c1-3-10(13)7-5-4-6-8-11(14)15(2)9-12/h3-5,7,9,12,14H,1,6,8,13H2,2H3/b5-4-,10-7+,12-9+,14-11+
InChIKeyUQOTUJCYMINQFM-QAWMIOIWSA-N
XLogP1.87
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide;buta-1,3-diene;ethane
CID 142994746
N-methyl-N-[(1E,4Z)-4-methylcycloocta-1,4,7-trien-1-yl]pentanimidamide
CID 153556068
(2Z,3Z,5E)-6-amino-N-methanimidoyl-N-propan-2-yl-2-propylidenehepta-3,5-dienimidamide
CID 153595132
(3Z,5Z)-5-amino-N-[(E)-but-2-en-2-yl]-6-(dimethylamino)-N-methylhepta-3,5-dienimidamide
CID 142994747

Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide?
The IUPAC name of (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide (CID 166079276) is (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide.
What is the SMILES notation for (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide?
The canonical SMILES for (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide is [H]/N=C/N(C)/C(CC/C=C\C=C(\N)C=C)=N/[H].
What is the InChIKey of (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide?
The InChIKey is UQOTUJCYMINQFM-QAWMIOIWSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-10(13)7-5-4-6-8-11(14)15(2)9-12/h3-5,7,9,12,14H,1,6,8,13H2,2H3/b5-4-,10-7+,12-9+,14-11+.
What are the key properties of (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide?
(4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide has a molecular weight of 206.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-7-amino-N-methanimidoyl-N-methylnona-4,6,8-trienimidamide is sourced from PubChem (CID 166079276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).