2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde

C12H23NO — CID 115223611

IUPAC2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
SMILESCC(C)(CNCC=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,10-13-8-9-14)11-6-4-3-5-7-11/h9,11,13H,3-8,10H2,1-2H3
InChIKeyYKXNYGGDRWTFBX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.38
Rot. Bonds5

About 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde

2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde (PubChem CID 115223611) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
PubChem CID115223611
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
SMILESCC(C)(CNCC=O)C1CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,10-13-8-9-14)11-6-4-3-5-7-11/h9,11,13H,3-8,10H2,1-2H3
InChIKeyYKXNYGGDRWTFBX-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
CID 115223620
2-[(2-cyclohexyl-2-methylpropyl)amino]ethanol
CID 115216597
N-(azetidin-3-ylmethyl)-2-cyclohexyl-2-methylpropan-1-amine
CID 115208032
4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
CID 115240315
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239975
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
CID 100913906
CID 100913906
methyl 2-[(2-cyclopentyl-2-methylpropyl)amino]acetate
CID 115233257
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde?
The IUPAC name of 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde (CID 115223611) is 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde.
What is the SMILES notation for 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde?
The canonical SMILES for 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde is CC(C)(CNCC=O)C1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde?
The InChIKey is YKXNYGGDRWTFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,10-13-8-9-14)11-6-4-3-5-7-11/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde?
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde has a molecular weight of 197.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde is sourced from PubChem (CID 115223611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).