10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol

C20H38N2O — CID 156775892

IUPAC10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol
SMILESCC(C)C1CCCCC2CC(O)(CCN2)C2CCCCC2NC1
InChIInChI=1S/C20H38N2O/c1-15(2)16-7-3-4-8-17-13-20(23,11-12-21-17)18-9-5-6-10-19(18)22-14-16/h15-19,21-23H,3-14H2,1-2H3
InChIKeySWIUFCXWOLUJMC-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.46
Rot. Bonds1

About 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol

10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol (PubChem CID 156775892) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol.

Molecular Properties

Compound Name10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol
PubChem CID156775892
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol
SMILESCC(C)C1CCCCC2CC(O)(CCN2)C2CCCCC2NC1
InChIInChI=1S/C20H38N2O/c1-15(2)16-7-3-4-8-17-13-20(23,11-12-21-17)18-9-5-6-10-19(18)22-14-16/h15-19,21-23H,3-14H2,1-2H3
InChIKeySWIUFCXWOLUJMC-UHFFFAOYSA-N
XLogP3.46
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol?
The IUPAC name of 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol (CID 156775892) is 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol.
What is the SMILES notation for 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol?
The canonical SMILES for 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol is CC(C)C1CCCCC2CC(O)(CCN2)C2CCCCC2NC1.
What is the InChIKey of 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol?
The InChIKey is SWIUFCXWOLUJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-15(2)16-7-3-4-8-17-13-20(23,11-12-21-17)18-9-5-6-10-19(18)22-14-16/h15-19,21-23H,3-14H2,1-2H3.
What are the key properties of 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol?
10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol has a molecular weight of 322.54 g/mol, XLogP of 3.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-8,16-diazatricyclo[13.3.1.02,7]nonadecan-1-ol is sourced from PubChem (CID 156775892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).