(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

C16H28N2 — CID 118712532

IUPAC(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESCN1CCC[C@H]2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21
InChIInChI=1S/C16H28N2/c1-17-7-4-5-12-9-13-10-14(16(12)17)11-18-8-3-2-6-15(13)18/h12-16H,2-11H2,1H3/t12-,13-,14+,15+,16+/m0/s1
InChIKeyWPURYKDOSCZJJP-AALSBFMBSA-N
MW248.41 g/mol
LogP2.59
Rot. Bonds

About (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 118712532) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID118712532
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESCN1CCC[C@H]2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21
InChIInChI=1S/C16H28N2/c1-17-7-4-5-12-9-13-10-14(16(12)17)11-18-8-3-2-6-15(13)18/h12-16H,2-11H2,1H3/t12-,13-,14+,15+,16+/m0/s1
InChIKeyWPURYKDOSCZJJP-AALSBFMBSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
CID 24805328
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
CID 134844763
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(2S)-11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
CID 59492157
(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
CID 162992981
(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 163133323
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
CID 12914402

Frequently Asked Questions

What is the IUPAC name of (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 118712532) is (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is CN1CCC[C@H]2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21.
What is the InChIKey of (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is WPURYKDOSCZJJP-AALSBFMBSA-N. The full InChI is InChI=1S/C16H28N2/c1-17-7-4-5-12-9-13-10-14(16(12)17)11-18-8-3-2-6-15(13)18/h12-16H,2-11H2,1H3/t12-,13-,14+,15+,16+/m0/s1.
What are the key properties of (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 248.41 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 118712532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).