1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde

C16H23NO — CID 62276974

IUPAC1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde
SMILESCCN(CC1(C=O)CCCC1)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-8-6-7-14(2)11-15)12-16(13-18)9-4-5-10-16/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKeyFWLZKRWKRKFXED-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds5

About 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde

1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde (PubChem CID 62276974) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde
PubChem CID62276974
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde
SMILESCCN(CC1(C=O)CCCC1)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-8-6-7-14(2)11-15)12-16(13-18)9-4-5-10-16/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKeyFWLZKRWKRKFXED-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(N-ethyl-3-methylanilino)methyl]oxane-4-carbaldehyde
CID 55066183
3-[(N-ethyl-3-methylanilino)methyl]oxolane-3-carbaldehyde
CID 62276787
1-[(N-ethyl-3-methylanilino)methyl]cyclopropane-1-carbonitrile
CID 82113622
N-ethyl-3-methyl-N-[2-[1-(methylamino)cyclohexyl]ethyl]aniline
CID 65241281
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methylaniline
CID 62257422
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
1-[[(3-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 55050971
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
1-(N-ethyl-3-methylanilino)propan-2-yl hydrogen sulfite
CID 91035286

Frequently Asked Questions

What is the IUPAC name of 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde (CID 62276974) is 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde is CCN(CC1(C=O)CCCC1)c1cccc(C)c1.
What is the InChIKey of 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde?
The InChIKey is FWLZKRWKRKFXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17(15-8-6-7-14(2)11-15)12-16(13-18)9-4-5-10-16/h6-8,11,13H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde?
1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde has a molecular weight of 245.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(N-ethyl-3-methylanilino)methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62276974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).