15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene

C16H21N — CID 67911101

IUPAC15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESCN1CC2=C3CCCCC31C1CCC=CC1=C2
InChIInChI=1S/C16H21N/c1-17-11-13-10-12-6-2-3-7-14(12)16(17)9-5-4-8-15(13)16/h2,6,10,14H,3-5,7-9,11H2,1H3
InChIKeyCCVCLDNDCQXSSA-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.45
Rot. Bonds

About 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene

15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene (PubChem CID 67911101) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene.

Molecular Properties

Compound Name15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
PubChem CID67911101
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESCN1CC2=C3CCCCC31C1CCC=CC1=C2
InChIInChI=1S/C16H21N/c1-17-11-13-10-12-6-2-3-7-14(12)16(17)9-5-4-8-15(13)16/h2,6,10,14H,3-5,7-9,11H2,1H3
InChIKeyCCVCLDNDCQXSSA-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 205176
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15-Azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
CID 57281653
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CID 57901447
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15-Propyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
CID 67911042
15-Methyl-15-azatetracyclo[6.6.2.01,10.02,7]hexadeca-5,7,9-triene
CID 67911075
15-Prop-2-enyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
CID 67911087
N-[3-(1,2,4a,5,6,9,10,10a-octahydrophenanthren-9-yl)hex-5-en-2-yl]-N-methyl-1,7,8,8a-tetrahydronaphthalen-1-amine
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Frequently Asked Questions

What is the IUPAC name of 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The IUPAC name of 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene (CID 67911101) is 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene.
What is the SMILES notation for 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The canonical SMILES for 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene is CN1CC2=C3CCCCC31C1CCC=CC1=C2.
What is the InChIKey of 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The InChIKey is CCVCLDNDCQXSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-17-11-13-10-12-6-2-3-7-14(12)16(17)9-5-4-8-15(13)16/h2,6,10,14H,3-5,7-9,11H2,1H3.
What are the key properties of 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene has a molecular weight of 227.35 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene is sourced from PubChem (CID 67911101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).