1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium

C9H20N3+ — CID 91186124

IUPAC1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium
SMILES[H]/N=C(C(CC)CC)/[N+](C)=C(/C)N
InChIInChI=1S/C9H19N3/c1-5-8(6-2)9(11)12(4)7(3)10/h8,10-11H,5-6H2,1-4H3/p+1/b11-9+
InChIKeyQOIGLPJHYGITRN-PKNBQFBNSA-O
MW170.28 g/mol
LogP1.42
Rot. Bonds3

About 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium

1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium (PubChem CID 91186124) has the molecular formula C9H20N3+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium.

Molecular Properties

Compound Name1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium
PubChem CID91186124
Molecular FormulaC9H20N3+
Molecular Weight170.28 g/mol
Exact Mass170.17
IUPAC Name1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium
SMILES[H]/N=C(C(CC)CC)/[N+](C)=C(/C)N
InChIInChI=1S/C9H19N3/c1-5-8(6-2)9(11)12(4)7(3)10/h8,10-11H,5-6H2,1-4H3/p+1/b11-9+
InChIKeyQOIGLPJHYGITRN-PKNBQFBNSA-O
XLogP1.42
TPSA52.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethylpentan-2-imine
CID 91583168
2-ethylpropanediimidamide;dihydrochloride
CID 87175836
3-aminopentanimidamide
CID 79498775
ethanimidamide;guanidine
CID 160661984
2-ethylbutanimidate;hydrochloride
CID 19082418
methanamine;propanimidamide
CID 158653796
2-ethylbutanimidoylphosphonous acid
CID 91569966
[(2R)-2-methylbutyl] carbamimidothioate
CID 3084888
2-butan-2-yloxyethanimidamide
CID 60902733
(3S)-4-ethyl-2-iminohexan-3-amine
CID 166901408
2-(1-pentan-3-ylpyrazol-3-yl)ethanimidamide
CID 64784152
cobalt;ethanimidamide
CID 162055614

Frequently Asked Questions

What is the IUPAC name of 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium?
The IUPAC name of 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium (CID 91186124) is 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium.
What is the SMILES notation for 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium?
The canonical SMILES for 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium is [H]/N=C(C(CC)CC)/[N+](C)=C(/C)N.
What is the InChIKey of 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium?
The InChIKey is QOIGLPJHYGITRN-PKNBQFBNSA-O. The full InChI is InChI=1S/C9H19N3/c1-5-8(6-2)9(11)12(4)7(3)10/h8,10-11H,5-6H2,1-4H3/p+1/b11-9+.
What are the key properties of 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium?
1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium has a molecular weight of 170.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylidene-(2-ethylbutanimidoyl)-methylazanium is sourced from PubChem (CID 91186124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).