1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane

C15H33N7 — CID 102300822

IUPAC1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane
SMILESC1CN2CCN3CCNCN(CN1)CNCCN(CC2)CC3
InChIInChI=1S/C15H33N7/c1-4-19-7-9-20-5-2-17-14-22(13-16-1)15-18-3-6-21(10-8-19)12-11-20/h16-18H,1-15H2
InChIKeyJNOKGQLTAHMWIJ-UHFFFAOYSA-N
MW311.48 g/mol
LogP-2.12
Rot. Bonds

About 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane

1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane (PubChem CID 102300822) has the molecular formula C15H33N7 and a molecular weight of 311.48 g/mol. Its IUPAC name is 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane.

Molecular Properties

Compound Name1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane
PubChem CID102300822
Molecular FormulaC15H33N7
Molecular Weight311.48 g/mol
Exact Mass311.28
IUPAC Name1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane
SMILESC1CN2CCN3CCNCN(CN1)CNCCN(CC2)CC3
InChIInChI=1S/C15H33N7/c1-4-19-7-9-20-5-2-17-14-22(13-16-1)15-18-3-6-21(10-8-19)12-11-20/h16-18H,1-15H2
InChIKeyJNOKGQLTAHMWIJ-UHFFFAOYSA-N
XLogP-2.12
TPSA49.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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1,4-diazabicyclo[4.2.2]decane
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CID 10192600
tris(1,4-diazabicyclo[2.2.2]octane);trihydrate
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1,4-diazabicyclo[4.1.1]octane
CID 89183759
1,8,11,14,21,24,29,36-octazapentacyclo[19.5.5.58,14.23,6.216,19]tetraconta-3(40),4,6(39),16,18,32-hexaene
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CID 57248704

Frequently Asked Questions

What is the IUPAC name of 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane?
The IUPAC name of 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane (CID 102300822) is 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane.
What is the SMILES notation for 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane?
The canonical SMILES for 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane is C1CN2CCN3CCNCN(CN1)CNCCN(CC2)CC3.
What is the InChIKey of 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane?
The InChIKey is JNOKGQLTAHMWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N7/c1-4-19-7-9-20-5-2-17-14-22(13-16-1)15-18-3-6-21(10-8-19)12-11-20/h16-18H,1-15H2.
What are the key properties of 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane?
1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane has a molecular weight of 311.48 g/mol, XLogP of -2.12, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,9,11,14,19-heptazatricyclo[7.7.4.24,14]docosane is sourced from PubChem (CID 102300822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).