N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline

C17H28N2O — CID 63630737

IUPACN-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(N(C)CC2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-19(14-16-5-3-4-6-16)17-9-7-15(8-10-17)13-18-11-12-20-2/h7-10,16,18H,3-6,11-14H2,1-2H3
InChIKeyFEGMIXWRWFFIPR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds8

About N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline

N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline (PubChem CID 63630737) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
PubChem CID63630737
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
SMILESCOCCNCc1ccc(N(C)CC2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-19(14-16-5-3-4-6-16)17-9-7-15(8-10-17)13-18-11-12-20-2/h7-10,16,18H,3-6,11-14H2,1-2H3
InChIKeyFEGMIXWRWFFIPR-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63274153
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
N-[[4-(cyclopentylmethylsulfanyl)phenyl]methyl]-2-methoxyethanamine
CID 63814246
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine
CID 63058629
4-(aminomethyl)-N-(cyclohexylmethyl)-N-methylaniline
CID 43275525
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106961211
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-ethyl-4-[(2-methoxyethylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060813
N-(cyclobutylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 107399906
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 63655525
4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
CID 115690285

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The IUPAC name of N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline (CID 63630737) is N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The canonical SMILES for N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline is COCCNCc1ccc(N(C)CC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
The InChIKey is FEGMIXWRWFFIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(14-16-5-3-4-6-16)17-9-7-15(8-10-17)13-18-11-12-20-2/h7-10,16,18H,3-6,11-14H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline?
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline has a molecular weight of 276.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 63630737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).