3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine

C17H22N2 — CID 114547274

IUPAC3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine
SMILESCC1CCC(NCc2cc3ccccc3cc2N)C1
InChIInChI=1S/C17H22N2/c1-12-6-7-16(8-12)19-11-15-9-13-4-2-3-5-14(13)10-17(15)18/h2-5,9-10,12,16,19H,6-8,11,18H2,1H3
InChIKeyCUXDWKRTDXLDKP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.70
Rot. Bonds3

About 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine

3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine (PubChem CID 114547274) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine
PubChem CID114547274
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine
SMILESCC1CCC(NCc2cc3ccccc3cc2N)C1
InChIInChI=1S/C17H22N2/c1-12-6-7-16(8-12)19-11-15-9-13-4-2-3-5-14(13)10-17(15)18/h2-5,9-10,12,16,19H,6-8,11,18H2,1H3
InChIKeyCUXDWKRTDXLDKP-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.70
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

2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247
3-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 43317418
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
3-[(cyclopropylmethylamino)methyl]naphthalen-2-amine
CID 61213693
N-[(2,5-dimethoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 115651792
3-methyl-N-[(4-phenylphenyl)methyl]cyclopentan-1-amine
CID 114543884
3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine
CID 61480575
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
3-[(2,6-dimethylpiperidin-1-yl)methyl]naphthalen-2-amine
CID 61213687

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine?
The IUPAC name of 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine (CID 114547274) is 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine?
The canonical SMILES for 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine is CC1CCC(NCc2cc3ccccc3cc2N)C1.
What is the InChIKey of 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine?
The InChIKey is CUXDWKRTDXLDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-6-7-16(8-12)19-11-15-9-13-4-2-3-5-14(13)10-17(15)18/h2-5,9-10,12,16,19H,6-8,11,18H2,1H3.
What are the key properties of 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine?
3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylcyclopentyl)amino]methyl]naphthalen-2-amine is sourced from PubChem (CID 114547274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).