(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine

C15H18N2 — CID 10680771

IUPAC(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C15H18N2/c16-14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11,16H2/t14-/m0/s1
InChIKeyAYSAWSQFBJHOIJ-AWEZNQCLSA-N
MW226.32 g/mol
LogP2.37
Rot. Bonds2

About (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine

(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine (PubChem CID 10680771) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
PubChem CID10680771
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C15H18N2/c16-14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11,16H2/t14-/m0/s1
InChIKeyAYSAWSQFBJHOIJ-AWEZNQCLSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 80675511
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
N-methyl-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 62369278
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495523
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
3-chloro-1-(naphthalen-1-ylmethyl)piperidine
CID 55182607
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine (CID 10680771) is (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine is N[C@H]1CCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine?
The InChIKey is AYSAWSQFBJHOIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2/c16-14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,14H,8-11,16H2/t14-/m0/s1.
What are the key properties of (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine?
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine has a molecular weight of 226.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 10680771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).