(7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane

C15H26N2O — CID 134865043

IUPAC(7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILES[O-][N@+]12CCCCC1C1C[C@H](C2)C2CCCCN2C1
InChIInChI=1S/C15H26N2O/c18-17-8-4-2-6-15(17)12-9-13(11-17)14-5-1-3-7-16(14)10-12/h12-15H,1-11H2/t12?,13-,14?,15?,17+/m1/s1
InChIKeyKKWIHISLPLFWKM-CFWQKHAZSA-N
MW250.39 g/mol
LogP2.36
Rot. Bonds

About (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane

(7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 134865043) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID134865043
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILES[O-][N@+]12CCCCC1C1C[C@H](C2)C2CCCCN2C1
InChIInChI=1S/C15H26N2O/c18-17-8-4-2-6-15(17)12-9-13(11-17)14-5-1-3-7-16(14)10-12/h12-15H,1-11H2/t12?,13-,14?,15?,17+/m1/s1
InChIKeyKKWIHISLPLFWKM-CFWQKHAZSA-N
XLogP2.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2S,9S,10R)-6-methyl-15-oxido-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 101210030
(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,2S,9S,10R,14R)-14-oxido-7-aza-14-azoniatetracyclo[7.6.1.02,7.010,14]hexadecan-6-one
CID 163184629
(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)-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]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 163184988
(1R,2R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 134715220
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 6101749
(1R,2S,4R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-ol
CID 162992981

Frequently Asked Questions

What is the IUPAC name of (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 134865043) is (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane is [O-][N@+]12CCCCC1C1C[C@H](C2)C2CCCCN2C1.
What is the InChIKey of (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is KKWIHISLPLFWKM-CFWQKHAZSA-N. The full InChI is InChI=1S/C15H26N2O/c18-17-8-4-2-6-15(17)12-9-13(11-17)14-5-1-3-7-16(14)10-12/h12-15H,1-11H2/t12?,13-,14?,15?,17+/m1/s1.
What are the key properties of (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane?
(7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 250.39 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9R)-7-oxido-15-aza-7-azoniatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 134865043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).