2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane

C16H18N2 — CID 2760916

IUPAC2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc2cc(CN3CC4CC3CN4)ccc2c1
InChIInChI=1S/C16H18N2/c1-2-4-14-7-12(5-6-13(14)3-1)10-18-11-15-8-16(18)9-17-15/h1-7,15-17H,8-11H2
InChIKeyMUILKDXYEHGAER-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.39
Rot. Bonds2

About 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane

2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 2760916) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID2760916
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc2cc(CN3CC4CC3CN4)ccc2c1
InChIInChI=1S/C16H18N2/c1-2-4-14-7-12(5-6-13(14)3-1)10-18-11-15-8-16(18)9-17-15/h1-7,15-17H,8-11H2
InChIKeyMUILKDXYEHGAER-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane;hydrobromide
CID 141204982
(1R,4S)-2-[(4-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 91873396
(1S,4R)-2-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 7171836
(1R,4S)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 98080628
2-[[4-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 22047689
(1S,4S)-2-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane;bis(2,2,2-trifluoroacetic acid)
CID 76853698
bis(2,2,2-trifluoroacetic acid);(1S,4S)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 76853708
2-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)benzaldehyde
CID 84784776
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.2]octane;dihydrochloride
CID 155921130
(1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CID 131855852
(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CID 58845145
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane (CID 2760916) is 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane is c1ccc2cc(CN3CC4CC3CN4)ccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is MUILKDXYEHGAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-4-14-7-12(5-6-13(14)3-1)10-18-11-15-8-16(18)9-17-15/h1-7,15-17H,8-11H2.
What are the key properties of 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 238.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 2760916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).