2-(tert-butylamino)cyclopentane-1-carbaldehyde

C10H19NO — CID 88895593

IUPAC2-(tert-butylamino)cyclopentane-1-carbaldehyde
SMILESCC(C)(C)NC1CCCC1C=O
InChIInChI=1S/C10H19NO/c1-10(2,3)11-9-6-4-5-8(9)7-12/h7-9,11H,4-6H2,1-3H3
InChIKeyQGGUXSDCABNYSR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds2

About 2-(tert-butylamino)cyclopentane-1-carbaldehyde

2-(tert-butylamino)cyclopentane-1-carbaldehyde (PubChem CID 88895593) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(tert-butylamino)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-(tert-butylamino)cyclopentane-1-carbaldehyde
PubChem CID88895593
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(tert-butylamino)cyclopentane-1-carbaldehyde
SMILESCC(C)(C)NC1CCCC1C=O
InChIInChI=1S/C10H19NO/c1-10(2,3)11-9-6-4-5-8(9)7-12/h7-9,11H,4-6H2,1-3H3
InChIKeyQGGUXSDCABNYSR-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
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

2-(methylamino)cyclohexane-1-carbaldehyde
CID 22969368
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[(1S,2R)-2-formylcycloheptyl]carbamate
CID 87517913
2-(tert-butylamino)cyclopentane-1-sulfonate
CID 58003861
trans-(1S,2S)-2-N-tert-butyl-1-N,1-N-dimethylcyclopentane-1,2-diamine
CID 134429389
1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one
CID 89084410
2-tert-butylcyclobutane-1-carbaldehyde
CID 123563535
(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 59906415
(2S)-2-dimethylphosphanylcyclopentane-1-carbaldehyde
CID 59961076
trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
CID 59356674
(2R)-N-tert-butyl-2-methylcyclobutan-1-amine
CID 161232093

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)cyclopentane-1-carbaldehyde?
The IUPAC name of 2-(tert-butylamino)cyclopentane-1-carbaldehyde (CID 88895593) is 2-(tert-butylamino)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-(tert-butylamino)cyclopentane-1-carbaldehyde?
The canonical SMILES for 2-(tert-butylamino)cyclopentane-1-carbaldehyde is CC(C)(C)NC1CCCC1C=O.
What is the InChIKey of 2-(tert-butylamino)cyclopentane-1-carbaldehyde?
The InChIKey is QGGUXSDCABNYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)11-9-6-4-5-8(9)7-12/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 2-(tert-butylamino)cyclopentane-1-carbaldehyde?
2-(tert-butylamino)cyclopentane-1-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 88895593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).