(3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane

C18H22N2 — CID 59884164

IUPAC(3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane
SMILESc1ccc2cc(C[C@H]3CNC4(CCCC4)N3)ccc2c1
InChIInChI=1S/C18H22N2/c1-2-6-16-11-14(7-8-15(16)5-1)12-17-13-19-18(20-17)9-3-4-10-18/h1-2,5-8,11,17,19-20H,3-4,9-10,12-13H2/t17-/m0/s1
InChIKeyXBACIZCUXGRDEX-KRWDZBQOSA-N
MW266.39 g/mol
LogP3.21
Rot. Bonds2

About (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane

(3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane (PubChem CID 59884164) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane
PubChem CID59884164
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane
SMILESc1ccc2cc(C[C@H]3CNC4(CCCC4)N3)ccc2c1
InChIInChI=1S/C18H22N2/c1-2-6-16-11-14(7-8-15(16)5-1)12-17-13-19-18(20-17)9-3-4-10-18/h1-2,5-8,11,17,19-20H,3-4,9-10,12-13H2/t17-/m0/s1
InChIKeyXBACIZCUXGRDEX-KRWDZBQOSA-N
XLogP3.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(Naphthalen-2-yl)ethyl)piperazine
CID 44592243
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
Methyl-(2-naphthalen-2-yl-ethyl)-(2-pyrrolidin-1-yl-ethyl)-amine
CID 15113307
(5R)-5-butyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
CID 16197237
(5S)-1-(cyclohexylmethyl)-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
CID 16682578
(5S)-5-(cyclohexylmethyl)-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
CID 16682601
(5S)-5-benzyl-1-(2-naphthalen-1-ylethyl)imidazolidine-2-thione
CID 16745443
(5S)-1-butyl-5-(naphthalen-1-ylmethyl)imidazolidine-2-thione
CID 16745910
(R)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592156
(R)-N-isobutyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592157
(S)-N-methyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592158
(3aS,6aR)-3a-naphthalen-2-yl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 53391717

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane?
The IUPAC name of (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane (CID 59884164) is (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane.
What is the SMILES notation for (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane?
The canonical SMILES for (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane is c1ccc2cc(C[C@H]3CNC4(CCCC4)N3)ccc2c1.
What is the InChIKey of (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane?
The InChIKey is XBACIZCUXGRDEX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-6-16-11-14(7-8-15(16)5-1)12-17-13-19-18(20-17)9-3-4-10-18/h1-2,5-8,11,17,19-20H,3-4,9-10,12-13H2/t17-/m0/s1.
What are the key properties of (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane?
(3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane has a molecular weight of 266.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(naphthalen-2-ylmethyl)-1,4-diazaspiro[4.4]nonane is sourced from PubChem (CID 59884164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).