(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

C15H26N2 — CID 163133323

IUPAC(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CN[C@H]2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C15H26N2/c1-2-7-17-10-12-8-11(15(17)5-1)9-14-13(12)4-3-6-16-14/h11-16H,1-10H2/t11-,12-,13-,14+,15+/m1/s1
InChIKeyGZKGQRVPRXYFSZ-ZSAUSMIDSA-N
MW234.39 g/mol
LogP2.25
Rot. Bonds

About (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 163133323) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID163133323
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CN[C@H]2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C15H26N2/c1-2-7-17-10-12-8-11(15(17)5-1)9-14-13(12)4-3-6-16-14/h11-16H,1-10H2/t11-,12-,13-,14+,15+/m1/s1
InChIKeyGZKGQRVPRXYFSZ-ZSAUSMIDSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane 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
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
(4aR,5S,8aR)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;(4aS,5R,8aS)-5-pyrrolidin-1-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 160750603
(1S,2R,9R,10S)-7,8,15-triazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 173466761
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane
CID 164651866
1,2,3,4,4a,5,5a,6,7,8,8a,8b-dodecahydropentaleno[2,1-b]pyridine
CID 112714334
9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 19890892
(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 118712532

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 163133323) is (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is C1CN[C@H]2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1.
What is the InChIKey of (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is GZKGQRVPRXYFSZ-ZSAUSMIDSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-7-17-10-12-8-11(15(17)5-1)9-14-13(12)4-3-6-16-14/h11-16H,1-10H2/t11-,12-,13-,14+,15+/m1/s1.
What are the key properties of (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 234.39 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 163133323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).