1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene

C16H17N — CID 57224582

IUPAC1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene
SMILESCC12N=C(CC3=C1C=CCC3)C1C=CC=CC12
InChIInChI=1S/C16H17N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h3-5,7-9,12,14H,2,6,10H2,1H3
InChIKeyWVXRAHTYIIAJDW-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.61
Rot. Bonds

About 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene

1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene (PubChem CID 57224582) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene.

Molecular Properties

Compound Name1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene
PubChem CID57224582
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene
SMILESCC12N=C(CC3=C1C=CCC3)C1C=CC=CC12
InChIInChI=1S/C16H17N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h3-5,7-9,12,14H,2,6,10H2,1H3
InChIKeyWVXRAHTYIIAJDW-UHFFFAOYSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene with MolForge

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Related Compounds

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CID 90903463
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CID 132493843
2-Propyl-2-[(2-propylindol-2-yl)methyl]indole
CID 54141309
2-Butyl-2-[(2-butylindol-2-yl)methyl]indole
CID 54441339
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),11,13-hexaene
CID 54509328
1-Methyl-20-azapentacyclo[11.6.1.02,11.05,10.014,19]icosa-2(11),3,6,9,13(20),16,18-heptaene
CID 57037582
2,3,4,4a,5,6-hexahydro-1H-benzo[a]carbazole
CID 87766675
2-methyl-6-[(9Z,11E,13E)-15-methyl-14-tricyclo[6.6.2.04,16]hexadeca-1,5,9,11,13-pentaenyl]-3,4-dihydropyridine
CID 89431640
3,6,8-Trimethyl-7-azabicyclo[4.3.1]deca-1,3,7-triene
CID 90972017
10-(2,5,5-Trimethylhexan-3-yl)-4a,8,9,10b-tetrahydrocyclohepta[b]indole
CID 123542412
1-(2-ethylhexyl)-1H-benzo[a]carbazole
CID 123864090
3,7a-Dimethyl-2,5-di(propan-2-yl)-3,7-dihydroindole
CID 126658051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene?
The IUPAC name of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene (CID 57224582) is 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene.
What is the SMILES notation for 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene?
The canonical SMILES for 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene is CC12N=C(CC3=C1C=CCC3)C1C=CC=CC12.
What is the InChIKey of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene?
The InChIKey is WVXRAHTYIIAJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h3-5,7-9,12,14H,2,6,10H2,1H3.
What are the key properties of 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene?
1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene has a molecular weight of 223.32 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,9(16),11,13-pentaene is sourced from PubChem (CID 57224582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).