2-[[cyclopentylmethyl(methyl)amino]methyl]aniline

C14H22N2 — CID 61343922

IUPAC2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC1CCCC1
InChIInChI=1S/C14H22N2/c1-16(10-12-6-2-3-7-12)11-13-8-4-5-9-14(13)15/h4-5,8-9,12H,2-3,6-7,10-11,15H2,1H3
InChIKeyCFTFLEJNPMGHJX-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.89
Rot. Bonds4

About 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline

2-[[cyclopentylmethyl(methyl)amino]methyl]aniline (PubChem CID 61343922) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
PubChem CID61343922
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)CC1CCCC1
InChIInChI=1S/C14H22N2/c1-16(10-12-6-2-3-7-12)11-13-8-4-5-9-14(13)15/h4-5,8-9,12H,2-3,6-7,10-11,15H2,1H3
InChIKeyCFTFLEJNPMGHJX-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline (CID 61343922) is 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccccc1N)CC1CCCC1.
What is the InChIKey of 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The InChIKey is CFTFLEJNPMGHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(10-12-6-2-3-7-12)11-13-8-4-5-9-14(13)15/h4-5,8-9,12H,2-3,6-7,10-11,15H2,1H3.
What are the key properties of 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 61343922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).