2-(1-aminocyclohexyl)-3,3-dimethylbutanal

C12H23NO — CID 174830872

IUPAC2-(1-aminocyclohexyl)-3,3-dimethylbutanal
SMILESCC(C)(C)C(C=O)C1(N)CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2,3)10(9-14)12(13)7-5-4-6-8-12/h9-10H,4-8,13H2,1-3H3
InChIKeyRWFVEMWSFYIFQE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds2

About 2-(1-aminocyclohexyl)-3,3-dimethylbutanal

2-(1-aminocyclohexyl)-3,3-dimethylbutanal (PubChem CID 174830872) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-3,3-dimethylbutanal.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-3,3-dimethylbutanal
PubChem CID174830872
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(1-aminocyclohexyl)-3,3-dimethylbutanal
SMILESCC(C)(C)C(C=O)C1(N)CCCCC1
InChIInChI=1S/C12H23NO/c1-11(2,3)10(9-14)12(13)7-5-4-6-8-12/h9-10H,4-8,13H2,1-3H3
InChIKeyRWFVEMWSFYIFQE-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutan-2-yl)cycloheptan-1-amine
CID 130632001
2-(1-aminocycloundecyl)-3-methylbutanoic acid
CID 134467183
1-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 123210548
1-aminocyclohexane-1-carbaldehyde;ethane
CID 145148133
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
CID 174666589
2-(1-aminocyclooctyl)propanamide
CID 138738816
1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370
1-(1-amino-2,2-dimethylpropyl)-N,N-dimethylcycloheptan-1-amine
CID 79081680
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
(2S)-2-amino-2-(1-methylcyclopentyl)acetaldehyde
CID 90058133

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-3,3-dimethylbutanal?
The IUPAC name of 2-(1-aminocyclohexyl)-3,3-dimethylbutanal (CID 174830872) is 2-(1-aminocyclohexyl)-3,3-dimethylbutanal.
What is the SMILES notation for 2-(1-aminocyclohexyl)-3,3-dimethylbutanal?
The canonical SMILES for 2-(1-aminocyclohexyl)-3,3-dimethylbutanal is CC(C)(C)C(C=O)C1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-3,3-dimethylbutanal?
The InChIKey is RWFVEMWSFYIFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,3)10(9-14)12(13)7-5-4-6-8-12/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 2-(1-aminocyclohexyl)-3,3-dimethylbutanal?
2-(1-aminocyclohexyl)-3,3-dimethylbutanal has a molecular weight of 197.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-3,3-dimethylbutanal is sourced from PubChem (CID 174830872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).