1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde

C14H25NO2 — CID 62276243

IUPAC1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN(CCO)C2CCCC2)CCCC1
InChIInChI=1S/C14H25NO2/c16-10-9-15(13-5-1-2-6-13)11-14(12-17)7-3-4-8-14/h12-13,16H,1-11H2
InChIKeyNWAVRLBTCJEZDI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.98
Rot. Bonds6

About 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276243) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62276243
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESO=CC1(CN(CCO)C2CCCC2)CCCC1
InChIInChI=1S/C14H25NO2/c16-10-9-15(13-5-1-2-6-13)11-14(12-17)7-3-4-8-14/h12-13,16H,1-11H2
InChIKeyNWAVRLBTCJEZDI-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]oxolane-3-carbaldehyde
CID 62277416
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276800
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
CID 65009202
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391970
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275706
2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
2-[cyclohexyl-[[3-(hydroxymethyl)oxolan-3-yl]methyl]amino]ethanol
CID 62265114
4-[[bis(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391102

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62276243) is 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde is O=CC1(CN(CCO)C2CCCC2)CCCC1.
What is the InChIKey of 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is NWAVRLBTCJEZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-10-9-15(13-5-1-2-6-13)11-14(12-17)7-3-4-8-14/h12-13,16H,1-11H2.
What are the key properties of 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).