2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol

C13H26N2O — CID 59603527

IUPAC2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
SMILESCC(C)CN1CC2CC1CN2C(C)(C)CO
InChIInChI=1S/C13H26N2O/c1-10(2)6-14-7-12-5-11(14)8-15(12)13(3,4)9-16/h10-12,16H,5-9H2,1-4H3
InChIKeyLEGZZSLRZAVPNF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.17
Rot. Bonds4

About 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol

2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol (PubChem CID 59603527) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
PubChem CID59603527
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
SMILESCC(C)CN1CC2CC1CN2C(C)(C)CO
InChIInChI=1S/C13H26N2O/c1-10(2)6-14-7-12-5-11(14)8-15(12)13(3,4)9-16/h10-12,16H,5-9H2,1-4H3
InChIKeyLEGZZSLRZAVPNF-UHFFFAOYSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol (CID 59603527) is 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol is CC(C)CN1CC2CC1CN2C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
The InChIKey is LEGZZSLRZAVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)6-14-7-12-5-11(14)8-15(12)13(3,4)9-16/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol?
2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol is sourced from PubChem (CID 59603527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).