(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide

C10H19N3 — CID 123320230

IUPAC(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
SMILES[H]/N=C(N)/C(=C/C=N/[H])C(C)CC(C)C
InChIInChI=1S/C10H19N3/c1-7(2)6-8(3)9(4-5-11)10(12)13/h4-5,7-8,11H,6H2,1-3H3,(H3,12,13)/b9-4+,11-5+
InChIKeyRCXYTNUSGULZSV-HINBXAKRSA-N
MW181.28 g/mol
LogP2.18
Rot. Bonds5

About (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide

(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide (PubChem CID 123320230) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide.

Molecular Properties

Compound Name(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
PubChem CID123320230
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
SMILES[H]/N=C(N)/C(=C/C=N/[H])C(C)CC(C)C
InChIInChI=1S/C10H19N3/c1-7(2)6-8(3)9(4-5-11)10(12)13/h4-5,7-8,11H,6H2,1-3H3,(H3,12,13)/b9-4+,11-5+
InChIKeyRCXYTNUSGULZSV-HINBXAKRSA-N
XLogP2.18
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methanimidoyl-5-methyloct-5-en-1-amine
CID 123629211
4-(Aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide
CID 123670945
(2E)-2-ethylidene-N'-[(2R)-2-ethylpentyl]pentanimidamide
CID 167138680
(2E)-N-butylidene-N',5-dimethyl-2-propylideneheptanimidamide
CID 167480742
(3Z)-3-ethylidene-4-methylheptanimidamide
CID 169571149
2-(3,7-Dimethyloct-6-enylideneamino)guanidine
CID 415337
2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine
CID 5474398
2-[(E)-3,7-dimethyloct-6-enylideneamino]guanidine
CID 9573038
(4S)-4-prop-1-en-2-ylcyclohexene-1-carboximidamide
CID 130679260
2-(3,7-Dimethyloct-6-enylideneamino)ethanimidamide
CID 162127743

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide?
The IUPAC name of (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide (CID 123320230) is (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide.
What is the SMILES notation for (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide?
The canonical SMILES for (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide is [H]/N=C(N)/C(=C/C=N/[H])C(C)CC(C)C.
What is the InChIKey of (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide?
The InChIKey is RCXYTNUSGULZSV-HINBXAKRSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)6-8(3)9(4-5-11)10(12)13/h4-5,7-8,11H,6H2,1-3H3,(H3,12,13)/b9-4+,11-5+.
What are the key properties of (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide?
(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide has a molecular weight of 181.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide is sourced from PubChem (CID 123320230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).