4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

C16H27N3O — CID 51050652

IUPAC4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESCNC1CC(=O)N2CC3CCCN4CCCC(C34)C2C1
InChIInChI=1S/C16H27N3O/c1-17-12-8-14-13-5-3-7-18-6-2-4-11(16(13)18)10-19(14)15(20)9-12/h11-14,16-17H,2-10H2,1H3
InChIKeyUTZKFQDQSSFLMS-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.07
Rot. Bonds1

About 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (PubChem CID 51050652) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.

Molecular Properties

Compound Name4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
PubChem CID51050652
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESCNC1CC(=O)N2CC3CCCN4CCCC(C34)C2C1
InChIInChI=1S/C16H27N3O/c1-17-12-8-14-13-5-3-7-18-6-2-4-11(16(13)18)10-19(14)15(20)9-12/h11-14,16-17H,2-10H2,1H3
InChIKeyUTZKFQDQSSFLMS-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The IUPAC name of 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (CID 51050652) is 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.
What is the SMILES notation for 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The canonical SMILES for 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is CNC1CC(=O)N2CC3CCCN4CCCC(C34)C2C1.
What is the InChIKey of 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The InChIKey is UTZKFQDQSSFLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-12-8-14-13-5-3-7-18-6-2-4-11(16(13)18)10-19(14)15(20)9-12/h11-14,16-17H,2-10H2,1H3.
What are the key properties of 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one has a molecular weight of 277.41 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is sourced from PubChem (CID 51050652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).