4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C14H26N2O — CID 114247361

IUPAC4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCC(C)(CN)CCN1CC2CC3CC2C1C3O
InChIInChI=1S/C14H26N2O/c1-14(2,8-15)3-4-16-7-10-5-9-6-11(10)12(16)13(9)17/h9-13,17H,3-8,15H2,1-2H3
InChIKeyCZQPKDUYNWJWEO-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.06
Rot. Bonds4

About 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247361) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247361
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCC(C)(CN)CCN1CC2CC3CC2C1C3O
InChIInChI=1S/C14H26N2O/c1-14(2,8-15)3-4-16-7-10-5-9-6-11(10)12(16)13(9)17/h9-13,17H,3-8,15H2,1-2H3
InChIKeyCZQPKDUYNWJWEO-UHFFFAOYSA-N
XLogP1.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247361) is 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is CC(C)(CN)CCN1CC2CC3CC2C1C3O.
What is the InChIKey of 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is CZQPKDUYNWJWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,8-15)3-4-16-7-10-5-9-6-11(10)12(16)13(9)17/h9-13,17H,3-8,15H2,1-2H3.
What are the key properties of 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).