2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol

C15H31N3O — CID 79170912

IUPAC2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol
SMILESCNC(C)(CO)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C15H31N3O/c1-15(12-19,16-2)8-4-9-18-10-7-13-5-6-14(11-18)17(13)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyZNQSTQQHXYECOY-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds6

About 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol

2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol (PubChem CID 79170912) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol
PubChem CID79170912
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol
SMILESCNC(C)(CO)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C15H31N3O/c1-15(12-19,16-2)8-4-9-18-10-7-13-5-6-14(11-18)17(13)3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyZNQSTQQHXYECOY-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol (CID 79170912) is 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol is CNC(C)(CO)CCCN1CCC2CCC(C1)N2C.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol?
The InChIKey is ZNQSTQQHXYECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(12-19,16-2)8-4-9-18-10-7-13-5-6-14(11-18)17(13)3/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol?
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol is sourced from PubChem (CID 79170912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).