2-[cycloheptyl(methyl)amino]-2-methylpropanal

C12H23NO — CID 130979617

IUPAC2-[cycloheptyl(methyl)amino]-2-methylpropanal
SMILESCN(C1CCCCCC1)C(C)(C)C=O
InChIInChI=1S/C12H23NO/c1-12(2,10-14)13(3)11-8-6-4-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyKVTYXEZUEGNBGW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.62
Rot. Bonds3

About 2-[cycloheptyl(methyl)amino]-2-methylpropanal

2-[cycloheptyl(methyl)amino]-2-methylpropanal (PubChem CID 130979617) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-2-methylpropanal.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-2-methylpropanal
PubChem CID130979617
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[cycloheptyl(methyl)amino]-2-methylpropanal
SMILESCN(C1CCCCCC1)C(C)(C)C=O
InChIInChI=1S/C12H23NO/c1-12(2,10-14)13(3)11-8-6-4-5-7-9-11/h10-11H,4-9H2,1-3H3
InChIKeyKVTYXEZUEGNBGW-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylbutan-2-yl)cyclohexanamine
CID 126515554
2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114994706
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
3-[cyclohexyl(methyl)amino]-2-methyl-2-phenylpropanal
CID 62278279
2-[cyclobutyl(methyl)amino]-2-methylpropan-1-ol
CID 115133352
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
N,N-dicyclohexylcyclohexanamine
CID 175770337
2-[cycloheptyl(methyl)amino]-3-methoxy-2-methylpropanoic acid
CID 115002428
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
2-[(2,5-dimethyloxolan-3-yl)-methylamino]-2-methylpropanal
CID 130820242
3-[cyclobutyl(methyl)amino]-3-methylbutanoic acid
CID 117042397
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
CID 62275681

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-2-methylpropanal?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-2-methylpropanal (CID 130979617) is 2-[cycloheptyl(methyl)amino]-2-methylpropanal.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-2-methylpropanal?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-2-methylpropanal is CN(C1CCCCCC1)C(C)(C)C=O.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-2-methylpropanal?
The InChIKey is KVTYXEZUEGNBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,10-14)13(3)11-8-6-4-5-7-9-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-[cycloheptyl(methyl)amino]-2-methylpropanal?
2-[cycloheptyl(methyl)amino]-2-methylpropanal has a molecular weight of 197.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-2-methylpropanal is sourced from PubChem (CID 130979617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).