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

C13H20N2 — CID 43266778

IUPAC2-[[cyclopentyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)C1CCCC1
InChIInChI=1S/C13H20N2/c1-15(12-7-3-4-8-12)10-11-6-2-5-9-13(11)14/h2,5-6,9,12H,3-4,7-8,10,14H2,1H3
InChIKeyAYYZPOHMJVPISD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.64
Rot. Bonds3

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

2-[[cyclopentyl(methyl)amino]methyl]aniline (PubChem CID 43266778) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]aniline
PubChem CID43266778
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccccc1N)C1CCCC1
InChIInChI=1S/C13H20N2/c1-15(12-7-3-4-8-12)10-11-6-2-5-9-13(11)14/h2,5-6,9,12H,3-4,7-8,10,14H2,1H3
InChIKeyAYYZPOHMJVPISD-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoic acid
CID 104824298
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
CID 104824299
methyl 2-amino-6-[[cycloheptyl(methyl)amino]methyl]benzoate
CID 104824398
2-[[cyclohexyl(methyl)amino]methyl]benzenecarbothioamide
CID 24707191
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
[2-[[cyclohexyl(methyl)amino]methyl]phenyl] selenohypobromite
CID 102064196
N-[(2-methanehydrazonoylphenyl)methyl]-N-methylcyclohexanamine
CID 168529451
2-methyl-3-[[methyl-(3-methylcyclohexyl)amino]methyl]aniline
CID 61444227

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]aniline (CID 43266778) is 2-[[cyclopentyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]aniline is CN(Cc1ccccc1N)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]aniline?
The InChIKey is AYYZPOHMJVPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-15(12-7-3-4-8-12)10-11-6-2-5-9-13(11)14/h2,5-6,9,12H,3-4,7-8,10,14H2,1H3.
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]aniline?
2-[[cyclopentyl(methyl)amino]methyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 43266778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).