6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene

C16H24N2 — CID 163119990

IUPAC6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene
SMILESC=C1C=CCC2C3CC(CN12)C1CCCCN1C3
InChIInChI=1S/C16H24N2/c1-12-5-4-7-16-13-9-14(11-18(12)16)15-6-2-3-8-17(15)10-13/h4-5,13-16H,1-3,6-11H2
InChIKeyBCMHZAIBLNQFQQ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.63
Rot. Bonds

About 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene

6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene (PubChem CID 163119990) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene.

Molecular Properties

Compound Name6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene
PubChem CID163119990
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene
SMILESC=C1C=CCC2C3CC(CN12)C1CCCCN1C3
InChIInChI=1S/C16H24N2/c1-12-5-4-7-16-13-9-14(11-18(12)16)15-6-2-3-8-17(15)10-13/h4-5,13-16H,1-3,6-11H2
InChIKeyBCMHZAIBLNQFQQ-UHFFFAOYSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene?
The IUPAC name of 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene (CID 163119990) is 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene.
What is the SMILES notation for 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene?
The canonical SMILES for 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene is C=C1C=CCC2C3CC(CN12)C1CCCCN1C3.
What is the InChIKey of 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene?
The InChIKey is BCMHZAIBLNQFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12-5-4-7-16-13-9-14(11-18(12)16)15-6-2-3-8-17(15)10-13/h4-5,13-16H,1-3,6-11H2.
What are the key properties of 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene?
6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene has a molecular weight of 244.38 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-4-ene is sourced from PubChem (CID 163119990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).