6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

C15H27N5O2 — CID 163139096

IUPAC6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide
SMILESCNC(=O)C1CC2C(=O)N3CCCC(C)C3NC2N(C)C1N
InChIInChI=1S/C15H27N5O2/c1-8-5-4-6-20-12(8)18-13-10(15(20)22)7-9(14(21)17-2)11(16)19(13)3/h8-13,18H,4-7,16H2,1-3H3,(H,17,21)
InChIKeyXRLAGXBDLVFTDF-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.90
Rot. Bonds1

About 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide (PubChem CID 163139096) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide.

Molecular Properties

Compound Name6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide
PubChem CID163139096
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide
SMILESCNC(=O)C1CC2C(=O)N3CCCC(C)C3NC2N(C)C1N
InChIInChI=1S/C15H27N5O2/c1-8-5-4-6-20-12(8)18-13-10(15(20)22)7-9(14(21)17-2)11(16)19(13)3/h8-13,18H,4-7,16H2,1-3H3,(H,17,21)
InChIKeyXRLAGXBDLVFTDF-UHFFFAOYSA-N
XLogP-0.90
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
The IUPAC name of 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide (CID 163139096) is 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide.
What is the SMILES notation for 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
The canonical SMILES for 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide is CNC(=O)C1CC2C(=O)N3CCCC(C)C3NC2N(C)C1N.
What is the InChIKey of 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
The InChIKey is XRLAGXBDLVFTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-8-5-4-6-20-12(8)18-13-10(15(20)22)7-9(14(21)17-2)11(16)19(13)3/h8-13,18H,4-7,16H2,1-3H3,(H,17,21).
What are the key properties of 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide has a molecular weight of 309.41 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,7,11-trimethyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide is sourced from PubChem (CID 163139096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).