4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde

C14H25NO2 — CID 62391970

IUPAC4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
SMILESCCN(CC1(C=O)CCOCC1)C1CCCC1
InChIInChI=1S/C14H25NO2/c1-2-15(13-5-3-4-6-13)11-14(12-16)7-9-17-10-8-14/h12-13H,2-11H2,1H3
InChIKeyYKTLNTVXXYECQF-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds5

About 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde

4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde (PubChem CID 62391970) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
PubChem CID62391970
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
SMILESCCN(CC1(C=O)CCOCC1)C1CCCC1
InChIInChI=1S/C14H25NO2/c1-2-15(13-5-3-4-6-13)11-14(12-16)7-9-17-10-8-14/h12-13H,2-11H2,1H3
InChIKeyYKTLNTVXXYECQF-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclopropyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391098
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
CID 102636939
1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276243
4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
CID 62390920
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277416
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276800
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852096

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde (CID 62391970) is 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde is CCN(CC1(C=O)CCOCC1)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde?
The InChIKey is YKTLNTVXXYECQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-15(13-5-3-4-6-13)11-14(12-16)7-9-17-10-8-14/h12-13H,2-11H2,1H3.
What are the key properties of 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde?
4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 62391970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).