1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde

C14H25NO — CID 62275816

IUPAC1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCN(CC1(C=O)CCCC1)C1CCCC1
InChIInChI=1S/C14H25NO/c1-2-15(13-7-3-4-8-13)11-14(12-16)9-5-6-10-14/h12-13H,2-11H2,1H3
InChIKeyBVOIYUJETNMDSY-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.01
Rot. Bonds5

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

1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62275816) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62275816
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCN(CC1(C=O)CCCC1)C1CCCC1
InChIInChI=1S/C14H25NO/c1-2-15(13-7-3-4-8-13)11-14(12-16)9-5-6-10-14/h12-13H,2-11H2,1H3
InChIKeyBVOIYUJETNMDSY-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391970
4-[[cyclopropyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391098
1-[[cyclopentyl(2-hydroxyethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276243
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62276800
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentan-1-amine
CID 60852096
N-[(1-aminocyclopentyl)methyl]-N-ethylcyclohexanamine
CID 60852825
1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275706
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethylcyclohexanamine
CID 65009192
N,N-diethylcycloundecanamine
CID 163828609
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-ethylcyclohexanamine
CID 115453629
N,N-diethylcyclobutanamine;ethane
CID 170746144

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62275816) is 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde is CCN(CC1(C=O)CCCC1)C1CCCC1.
What is the InChIKey of 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is BVOIYUJETNMDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-15(13-7-3-4-8-13)11-14(12-16)9-5-6-10-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 223.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62275816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).