1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine

C17H22N2 — CID 112630234

IUPAC1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-13(18)15-9-10-19(11-15)12-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,13,15H,9-12,18H2,1H3
InChIKeySSQIJVWKPCQJCL-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.01
Rot. Bonds3

About 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine

1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 112630234) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
PubChem CID112630234
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H22N2/c1-13(18)15-9-10-19(11-15)12-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,13,15H,9-12,18H2,1H3
InChIKeySSQIJVWKPCQJCL-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

1-[1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975682
1-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975543
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630094
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanamine
CID 63854447
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120841087
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975773

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine (CID 112630234) is 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is SSQIJVWKPCQJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(18)15-9-10-19(11-15)12-16-7-4-6-14-5-2-3-8-17(14)16/h2-8,13,15H,9-12,18H2,1H3.
What are the key properties of 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine?
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine 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 1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 112630234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).