potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide

C18H29KN4O — CID 145000315

IUPACpotassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide
SMILES[H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cccc(N)c1.[K+].[NH-]CCCO
InChIInChI=1S/C15H21N3.C3H8NO.K/c1-15(2)7-6-12(13(17)9-15)14(18)10-4-3-5-11(16)8-10;4-2-1-3-5;/h3-5,8,18H,6-7,9,16-17H2,1-2H3;4-5H,1-3H2;/q;-1;+1/b18-14+;;
InChIKeyGBQUEPOUGQJUGN-RAIISBKQSA-N
MW356.56 g/mol
LogP0.48
Rot. Bonds4

About potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide

potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide (PubChem CID 145000315) has the molecular formula C18H29KN4O and a molecular weight of 356.56 g/mol. Its IUPAC name is potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide.

Molecular Properties

Compound Namepotassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide
PubChem CID145000315
Molecular FormulaC18H29KN4O
Molecular Weight356.56 g/mol
Exact Mass356.20
IUPAC Namepotassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide
SMILES[H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cccc(N)c1.[K+].[NH-]CCCO
InChIInChI=1S/C15H21N3.C3H8NO.K/c1-15(2)7-6-12(13(17)9-15)14(18)10-4-3-5-11(16)8-10;4-2-1-3-5;/h3-5,8,18H,6-7,9,16-17H2,1-2H3;4-5H,1-3H2;/q;-1;+1/b18-14+;;
InChIKeyGBQUEPOUGQJUGN-RAIISBKQSA-N
XLogP0.48
TPSA119.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide?
The IUPAC name of potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide (CID 145000315) is potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide.
What is the SMILES notation for potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide?
The canonical SMILES for potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide is [H]/N=C(/C1=C(N)CC(C)(C)CC1)c1cccc(N)c1.[K+].[NH-]CCCO.
What is the InChIKey of potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide?
The InChIKey is GBQUEPOUGQJUGN-RAIISBKQSA-N. The full InChI is InChI=1S/C15H21N3.C3H8NO.K/c1-15(2)7-6-12(13(17)9-15)14(18)10-4-3-5-11(16)8-10;4-2-1-3-5;/h3-5,8,18H,6-7,9,16-17H2,1-2H3;4-5H,1-3H2;/q;-1;+1/b18-14+;;.
What are the key properties of potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide?
potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide has a molecular weight of 356.56 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide is sourced from PubChem (CID 145000315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).