(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol

C15H26N2O — CID 162992981

IUPAC(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
SMILESO[C@@H]1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1
InChIInChI=1S/C15H26N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-15,18H,1-10H2/t11-,12-,13-,14-,15+/m1/s1
InChIKeyMMXKVQSOWVEFOB-RYPNDVFKSA-N
MW250.39 g/mol
LogP1.32
Rot. Bonds

About (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol

(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol (PubChem CID 162992981) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol.

Molecular Properties

Compound Name(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
PubChem CID162992981
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
SMILESO[C@@H]1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1
InChIInChI=1S/C15H26N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-15,18H,1-10H2/t11-,12-,13-,14-,15+/m1/s1
InChIKeyMMXKVQSOWVEFOB-RYPNDVFKSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol with MolForge

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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
(1S,2R,9S,10S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 21139805
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
(1S,2R,4R,5S,9S,10S,12S)-4,5,12-trihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 15939845
(2aS,8bR)-1,2,2a,3,5,6,7,8,8a,8b-decahydrocyclobuta[a]indolizin-7-ol
CID 82413598
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane-6-thione
CID 11311607
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-one
CID 12914402
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol?
The IUPAC name of (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol (CID 162992981) is (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol.
What is the SMILES notation for (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol?
The canonical SMILES for (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol is O[C@@H]1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1.
What is the InChIKey of (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol?
The InChIKey is MMXKVQSOWVEFOB-RYPNDVFKSA-N. The full InChI is InChI=1S/C15H26N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h11-15,18H,1-10H2/t11-,12-,13-,14-,15+/m1/s1.
What are the key properties of (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol?
(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol has a molecular weight of 250.39 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol is sourced from PubChem (CID 162992981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).