4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline

C15H24N2 — CID 114125839

IUPAC4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
SMILESCCC1(CNCc2ccc(N)cc2)CCCC1
InChIInChI=1S/C15H24N2/c1-2-15(9-3-4-10-15)12-17-11-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12,16H2,1H3
InChIKeyDNYJBOQFIOBSMR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.33
Rot. Bonds5

About 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline

4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline (PubChem CID 114125839) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
PubChem CID114125839
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
SMILESCCC1(CNCc2ccc(N)cc2)CCCC1
InChIInChI=1S/C15H24N2/c1-2-15(9-3-4-10-15)12-17-11-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12,16H2,1H3
InChIKeyDNYJBOQFIOBSMR-UHFFFAOYSA-N
XLogP3.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
2-(4-aminophenyl)-N-[(1-ethylcyclobutyl)methyl]acetamide;hydrochloride
CID 119782137
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
2-(4-aminophenyl)-N-[(1-ethylcyclopentyl)methyl]acetamide;hydrochloride
CID 119812218
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline?
The IUPAC name of 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline (CID 114125839) is 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline.
What is the SMILES notation for 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline?
The canonical SMILES for 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline is CCC1(CNCc2ccc(N)cc2)CCCC1.
What is the InChIKey of 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline?
The InChIKey is DNYJBOQFIOBSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-15(9-3-4-10-15)12-17-11-13-5-7-14(16)8-6-13/h5-8,17H,2-4,9-12,16H2,1H3.
What are the key properties of 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline?
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline is sourced from PubChem (CID 114125839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).