2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol

C11H20N2O2 — CID 166112954

IUPAC2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol
SMILESCO.[H]/N=C(\C=O)C1=C(N)CC(C)(C)CC1
InChIInChI=1S/C10H16N2O.CH4O/c1-10(2)4-3-7(8(11)5-10)9(12)6-13;1-2/h6,12H,3-5,11H2,1-2H3;2H,1H3/b12-9+;
InChIKeyZDXQBSIJQDPHGU-NBYYMMLRSA-N
MW212.29 g/mol
LogP1.24
Rot. Bonds2

About 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol

2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol (PubChem CID 166112954) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol.

Molecular Properties

Compound Name2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol
PubChem CID166112954
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol
SMILESCO.[H]/N=C(\C=O)C1=C(N)CC(C)(C)CC1
InChIInChI=1S/C10H16N2O.CH4O/c1-10(2)4-3-7(8(11)5-10)9(12)6-13;1-2/h6,12H,3-5,11H2,1-2H3;2H,1H3/b12-9+;
InChIKeyZDXQBSIJQDPHGU-NBYYMMLRSA-N
XLogP1.24
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol 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

5,5-dimethyl-2-(1H-pyrrolo[2,3-b]pyridine-5-carboximidoyl)cyclohexen-1-amine
CID 144999914
N-[2-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)-1H-indol-6-yl]-N-methylacetamide
CID 147464764
potassium;3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)aniline;3-hydroxypropylazanide
CID 145000315
N-[3-(2-amino-4,4-dimethylcyclohexene-1-carboximidoyl)phenyl]formamide;N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 144999654
4-amino-3-(2-oxoethanimidoyl)benzoic acid
CID 129107851
methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate
CID 90258796
3-amino-5,5-dimethyl-2-(2,2,2-trifluoroethanimidoyl)cyclohex-2-en-1-one
CID 130215816
2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid
CID 144793419
methyl 4,4-dimethylcyclohexane-1-carboximidate
CID 65392442
methyl 2-diethoxyphosphoryloxy-4,4-dimethylcyclohexene-1-carboxylate
CID 11023638
6,6-dimethyl-1,2,3,4,5,7-hexahydroinden-2-ol
CID 130128432
cyclopentane;formic acid;methanamine;3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene
CID 145031268

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol?
The IUPAC name of 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol (CID 166112954) is 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol.
What is the SMILES notation for 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol?
The canonical SMILES for 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol is CO.[H]/N=C(\C=O)C1=C(N)CC(C)(C)CC1.
What is the InChIKey of 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol?
The InChIKey is ZDXQBSIJQDPHGU-NBYYMMLRSA-N. The full InChI is InChI=1S/C10H16N2O.CH4O/c1-10(2)4-3-7(8(11)5-10)9(12)6-13;1-2/h6,12H,3-5,11H2,1-2H3;2H,1H3/b12-9+;.
What are the key properties of 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol?
2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol has a molecular weight of 212.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol is sourced from PubChem (CID 166112954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).