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

C18H22N2 — CID 59883968

IUPAC(3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane
SMILESc1ccc2c(C[C@H]3CNC4(CCCC4)N3)cccc2c1
InChIInChI=1S/C18H22N2/c1-2-9-17-14(6-1)7-5-8-15(17)12-16-13-19-18(20-16)10-3-4-11-18/h1-2,5-9,16,19-20H,3-4,10-13H2/t16-/m0/s1
InChIKeyFXKFGZGRXMSMQW-INIZCTEOSA-N
MW266.39 g/mol
LogP3.21
Rot. Bonds2

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

(3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane (PubChem CID 59883968) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane
PubChem CID59883968
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane
SMILESc1ccc2c(C[C@H]3CNC4(CCCC4)N3)cccc2c1
InChIInChI=1S/C18H22N2/c1-2-9-17-14(6-1)7-5-8-15(17)12-16-13-19-18(20-16)10-3-4-11-18/h1-2,5-9,16,19-20H,3-4,10-13H2/t16-/m0/s1
InChIKeyFXKFGZGRXMSMQW-INIZCTEOSA-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

3-(Naphthalen-1-yl)pyrrolidine
CID 10584082
(S)-N-butyl-N-(naphthalen-2-ylmethyl)pyrrolidin-3-amine
CID 44592195
(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
(2R)-2-(1-naphthylmethyl)-1-neopentyl-piperazine
CID 23641155
(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
2-(1-Naphthylmethyl)imidazolidine
CID 432976

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane?
The IUPAC name of (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane (CID 59883968) is (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane.
What is the SMILES notation for (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane?
The canonical SMILES for (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane is c1ccc2c(C[C@H]3CNC4(CCCC4)N3)cccc2c1.
What is the InChIKey of (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane?
The InChIKey is FXKFGZGRXMSMQW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-9-17-14(6-1)7-5-8-15(17)12-16-13-19-18(20-16)10-3-4-11-18/h1-2,5-9,16,19-20H,3-4,10-13H2/t16-/m0/s1.
What are the key properties of (3S)-3-(naphthalen-1-ylmethyl)-1,4-diazaspiro[4.4]nonane?
(3S)-3-(naphthalen-1-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-1-ylmethyl)-1,4-diazaspiro[4.4]nonane is sourced from PubChem (CID 59883968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).