17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene

C16H23N — CID 142058963

IUPAC17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene
SMILESC1=CC2=C(CC1)C13CCCCC1C(C2)NCC3
InChIInChI=1S/C16H23N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1,5,14-15,17H,2-4,6-11H2
InChIKeyFOHIPUTZTLKYEQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.58
Rot. Bonds

About 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene

17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene (PubChem CID 142058963) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene.

Molecular Properties

Compound Name17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene
PubChem CID142058963
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene
SMILESC1=CC2=C(CC1)C13CCCCC1C(C2)NCC3
InChIInChI=1S/C16H23N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1,5,14-15,17H,2-4,6-11H2
InChIKeyFOHIPUTZTLKYEQ-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
CID 89494612
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-4-one;dihydrochloride
CID 141188489
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;hydrate;hydrochloride
CID 141299651
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-6-ol
CID 54327511
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;1-benzofuran
CID 69251527
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;pyridine
CID 174749562
[(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-6-yl]methanesulfonic acid
CID 141461183
4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene-5-carbaldehyde
CID 75580501
(1R,9R,10R)-5-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol
CID 54250759
2-[(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]acetic acid
CID 71285765
(1S,9S,10S)-6-methyl-4-(trifluoromethoxy)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 155059231
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene;prop-2-enamide
CID 157253048

Frequently Asked Questions

What is the IUPAC name of 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene?
The IUPAC name of 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene (CID 142058963) is 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene.
What is the SMILES notation for 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene?
The canonical SMILES for 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene is C1=CC2=C(CC1)C13CCCCC1C(C2)NCC3.
What is the InChIKey of 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene?
The InChIKey is FOHIPUTZTLKYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1,5,14-15,17H,2-4,6-11H2.
What are the key properties of 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene?
17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene has a molecular weight of 229.37 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),5-diene is sourced from PubChem (CID 142058963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).