N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide

C11H19N3 — CID 134463859

IUPACN-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide
SMILES[H]/N=C/CCCCC(/C=N/C=N/C)=C\C
InChIInChI=1S/C11H19N3/c1-3-11(9-14-10-13-2)7-5-4-6-8-12/h3,8-10,12H,4-7H2,1-2H3/b11-3+,12-8+,13-10+,14-9+
InChIKeyLCHVSSDUVMKTPN-AMJJFGKISA-N
MW193.29 g/mol
LogP2.87
Rot. Bonds7

About N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide

N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide (PubChem CID 134463859) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide
PubChem CID134463859
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide
SMILES[H]/N=C/CCCCC(/C=N/C=N/C)=C\C
InChIInChI=1S/C11H19N3/c1-3-11(9-14-10-13-2)7-5-4-6-8-12/h3,8-10,12H,4-7H2,1-2H3/b11-3+,12-8+,13-10+,14-9+
InChIKeyLCHVSSDUVMKTPN-AMJJFGKISA-N
XLogP2.87
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide?
The IUPAC name of N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide (CID 134463859) is N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide?
The canonical SMILES for N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide is [H]/N=C/CCCCC(/C=N/C=N/C)=C\C.
What is the InChIKey of N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide?
The InChIKey is LCHVSSDUVMKTPN-AMJJFGKISA-N. The full InChI is InChI=1S/C11H19N3/c1-3-11(9-14-10-13-2)7-5-4-6-8-12/h3,8-10,12H,4-7H2,1-2H3/b11-3+,12-8+,13-10+,14-9+.
What are the key properties of N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide?
N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide has a molecular weight of 193.29 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-ethylidene-7-iminoheptylidene]-N'-methylmethanimidamide is sourced from PubChem (CID 134463859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).