2-[[(3-methylcyclopentyl)amino]methyl]aniline

C13H20N2 — CID 114543904

IUPAC2-[[(3-methylcyclopentyl)amino]methyl]aniline
SMILESCC1CCC(NCc2ccccc2N)C1
InChIInChI=1S/C13H20N2/c1-10-6-7-12(8-10)15-9-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyKTQVJUNIMLFHQL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.55
Rot. Bonds3

About 2-[[(3-methylcyclopentyl)amino]methyl]aniline

2-[[(3-methylcyclopentyl)amino]methyl]aniline (PubChem CID 114543904) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[[(3-methylcyclopentyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[(3-methylcyclopentyl)amino]methyl]aniline
PubChem CID114543904
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[[(3-methylcyclopentyl)amino]methyl]aniline
SMILESCC1CCC(NCc2ccccc2N)C1
InChIInChI=1S/C13H20N2/c1-10-6-7-12(8-10)15-9-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9,14H2,1H3
InChIKeyKTQVJUNIMLFHQL-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine
CID 114547274
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2-aminophenyl)methyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 58885071
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
N-[(2-aminophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 66385034
N'-hydroxy-3-[[(3-methylcyclopentyl)amino]methyl]pyridine-2-carboximidamide
CID 137015363

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylcyclopentyl)amino]methyl]aniline?
The IUPAC name of 2-[[(3-methylcyclopentyl)amino]methyl]aniline (CID 114543904) is 2-[[(3-methylcyclopentyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[(3-methylcyclopentyl)amino]methyl]aniline?
The canonical SMILES for 2-[[(3-methylcyclopentyl)amino]methyl]aniline is CC1CCC(NCc2ccccc2N)C1.
What is the InChIKey of 2-[[(3-methylcyclopentyl)amino]methyl]aniline?
The InChIKey is KTQVJUNIMLFHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-7-12(8-10)15-9-11-4-2-3-5-13(11)14/h2-5,10,12,15H,6-9,14H2,1H3.
What are the key properties of 2-[[(3-methylcyclopentyl)amino]methyl]aniline?
2-[[(3-methylcyclopentyl)amino]methyl]aniline has a molecular weight of 204.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylcyclopentyl)amino]methyl]aniline is sourced from PubChem (CID 114543904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).