2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol

C16H33N3O — CID 79170911

IUPAC2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3O/c1-16(13-20,17-2)9-4-5-10-19-11-8-14-6-7-15(12-19)18(14)3/h14-15,17,20H,4-13H2,1-3H3
InChIKeyZMQHPIGPOCVZJJ-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.30
Rot. Bonds7

About 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol

2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol (PubChem CID 79170911) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol
PubChem CID79170911
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol
SMILESCNC(C)(CO)CCCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3O/c1-16(13-20,17-2)9-4-5-10-19-11-8-14-6-7-15(12-19)18(14)3/h14-15,17,20H,4-13H2,1-3H3
InChIKeyZMQHPIGPOCVZJJ-UHFFFAOYSA-N
XLogP1.30
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol with MolForge

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Related Compounds

2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-ol
CID 79170912
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanamide
CID 79163911
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanamide
CID 79175376
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
methyl 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163896
2-methyl-2-(methylamino)-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 66372029
methyl 2-amino-2-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanoate
CID 79163888
6-(4-tert-butylazepan-1-yl)-2-methyl-2-(methylamino)hexan-1-ol
CID 64826441
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
2-methyl-2-(methylamino)-5-(3,4,5-trimethylpiperazin-1-yl)pentan-1-ol
CID 114540881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol (CID 79170911) is 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol is CNC(C)(CO)CCCCN1CCC2CCC(C1)N2C.
What is the InChIKey of 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol?
The InChIKey is ZMQHPIGPOCVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-16(13-20,17-2)9-4-5-10-19-11-8-14-6-7-15(12-19)18(14)3/h14-15,17,20H,4-13H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol?
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-ol is sourced from PubChem (CID 79170911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).