13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane

C17H31N5 — CID 123223208

IUPAC13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)C2CNCC3C4CNCCC4N(C4CNCNC41)C32
InChIInChI=1S/C17H31N5/c1-17(2)12-7-19-6-11-10-5-18-4-3-13(10)22(15(11)12)14-8-20-9-21-16(14)17/h10-16,18-21H,3-9H2,1-2H3
InChIKeyYHNTVQKIGXKKRJ-UHFFFAOYSA-N
MW305.47 g/mol
LogP-0.59
Rot. Bonds

About 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane

13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane (PubChem CID 123223208) has the molecular formula C17H31N5 and a molecular weight of 305.47 g/mol. Its IUPAC name is 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane.

Molecular Properties

Compound Name13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
PubChem CID123223208
Molecular FormulaC17H31N5
Molecular Weight305.47 g/mol
Exact Mass305.26
IUPAC Name13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCC1(C)C2CNCC3C4CNCCC4N(C4CNCNC41)C32
InChIInChI=1S/C17H31N5/c1-17(2)12-7-19-6-11-10-5-18-4-3-13(10)22(15(11)12)14-8-20-9-21-16(14)17/h10-16,18-21H,3-9H2,1-2H3
InChIKeyYHNTVQKIGXKKRJ-UHFFFAOYSA-N
XLogP-0.59
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The IUPAC name of 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane (CID 123223208) is 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane.
What is the SMILES notation for 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The canonical SMILES for 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane is CC1(C)C2CNCC3C4CNCCC4N(C4CNCNC41)C32.
What is the InChIKey of 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The InChIKey is YHNTVQKIGXKKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5/c1-17(2)12-7-19-6-11-10-5-18-4-3-13(10)22(15(11)12)14-8-20-9-21-16(14)17/h10-16,18-21H,3-9H2,1-2H3.
What are the key properties of 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane has a molecular weight of 305.47 g/mol, XLogP of -0.59, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-1,5,10,15,17-pentazapentacyclo[10.7.1.02,7.08,20.014,19]icosane is sourced from PubChem (CID 123223208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).