3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene

C16H26N2 — CID 85304123

IUPAC3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
SMILESCN1CCCC2=CC3CC(CN4CCCCC34)C21
InChIInChI=1S/C16H26N2/c1-17-7-4-5-12-9-13-10-14(16(12)17)11-18-8-3-2-6-15(13)18/h9,13-16H,2-8,10-11H2,1H3
InChIKeyYGHOKBSKQNTRCZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.51
Rot. Bonds

About 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene

3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene (PubChem CID 85304123) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene.

Molecular Properties

Compound Name3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
PubChem CID85304123
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
SMILESCN1CCCC2=CC3CC(CN4CCCCC34)C21
InChIInChI=1S/C16H26N2/c1-17-7-4-5-12-9-13-10-14(16(12)17)11-18-8-3-2-6-15(13)18/h9,13-16H,2-8,10-11H2,1H3
InChIKeyYGHOKBSKQNTRCZ-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The IUPAC name of 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene (CID 85304123) is 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene.
What is the SMILES notation for 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The canonical SMILES for 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene is CN1CCCC2=CC3CC(CN4CCCCC34)C21.
What is the InChIKey of 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
The InChIKey is YGHOKBSKQNTRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-17-7-4-5-12-9-13-10-14(16(12)17)11-18-8-3-2-6-15(13)18/h9,13-16H,2-8,10-11H2,1H3.
What are the key properties of 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene?
3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene has a molecular weight of 246.40 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene is sourced from PubChem (CID 85304123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).