[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine

C17H22N2 — CID 115486401

IUPAC[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-13-8-15(10-18)12-19(13)11-14-6-7-16-4-2-3-5-17(16)9-14/h2-7,9,13,15H,8,10-12,18H2,1H3
InChIKeyDOSDGTXNXXVGER-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.01
Rot. Bonds3

About [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine

[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine (PubChem CID 115486401) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
PubChem CID115486401
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1Cc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-13-8-15(10-18)12-19(13)11-14-6-7-16-4-2-3-5-17(16)9-14/h2-7,9,13,15H,8,10-12,18H2,1H3
InChIKeyDOSDGTXNXXVGER-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 115486456
[1-[(4-methoxy-3-nitrophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486193
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486064
[5-methyl-1-(3-phenylpropyl)pyrrolidin-3-yl]methanamine
CID 113319943
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486092
2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 2760916
[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486413
[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 66480996
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
2-[4-[[(2R,4R)-4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 124731340
[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine (CID 115486401) is [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine is CC1CC(CN)CN1Cc1ccc2ccccc2c1.
What is the InChIKey of [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
The InChIKey is DOSDGTXNXXVGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-8-15(10-18)12-19(13)11-14-6-7-16-4-2-3-5-17(16)9-14/h2-7,9,13,15H,8,10-12,18H2,1H3.
What are the key properties of [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine?
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115486401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).