2-[4-(tert-butylamino)cyclohexyl]acetaldehyde

C12H23NO — CID 175732114

IUPAC2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
SMILESCC(C)(C)NC1CCC(CC=O)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-11-6-4-10(5-7-11)8-9-14/h9-11,13H,4-8H2,1-3H3
InChIKeyHPKNOYNYFYJNMK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.52
Rot. Bonds3

About 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde

2-[4-(tert-butylamino)cyclohexyl]acetaldehyde (PubChem CID 175732114) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
PubChem CID175732114
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
SMILESCC(C)(C)NC1CCC(CC=O)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-11-6-4-10(5-7-11)8-9-14/h9-11,13H,4-8H2,1-3H3
InChIKeyHPKNOYNYFYJNMK-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde?
The IUPAC name of 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde (CID 175732114) is 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde.
What is the SMILES notation for 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde?
The canonical SMILES for 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde is CC(C)(C)NC1CCC(CC=O)CC1.
What is the InChIKey of 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde?
The InChIKey is HPKNOYNYFYJNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)13-11-6-4-10(5-7-11)8-9-14/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde?
2-[4-(tert-butylamino)cyclohexyl]acetaldehyde has a molecular weight of 197.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylamino)cyclohexyl]acetaldehyde is sourced from PubChem (CID 175732114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).