2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride

C16H31Cl2N3O2 — CID 120800981

IUPAC2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)C(N)C1CCOCC1)C2.Cl.Cl
InChIInChI=1S/C16H29N3O2.2ClH/c1-19-13-3-2-4-14(19)10-12(9-13)18-16(20)15(17)11-5-7-21-8-6-11;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H
InChIKeyVOGIILNQQWRNBZ-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120800981) has the molecular formula C16H31Cl2N3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120800981
Molecular FormulaC16H31Cl2N3O2
Molecular Weight368.35 g/mol
Exact Mass367.18
IUPAC Name2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN1C2CCCC1CC(NC(=O)C(N)C1CCOCC1)C2.Cl.Cl
InChIInChI=1S/C16H29N3O2.2ClH/c1-19-13-3-2-4-14(19)10-12(9-13)18-16(20)15(17)11-5-7-21-8-6-11;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H
InChIKeyVOGIILNQQWRNBZ-UHFFFAOYSA-N
XLogP1.72
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011
2-amino-2-(oxan-4-yl)-N-(4-propan-2-ylcyclohexyl)acetamide;hydrochloride
CID 120795689
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801531
2-amino-N-(3-ethylcyclohexyl)-2-(oxan-4-yl)acetamide
CID 120794016
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
2-amino-2-cyclobutyl-N-(3-hydroxycyclobutyl)acetamide
CID 130806446
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
2-amino-N-[2-(3-methylcyclohexyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793045
1-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclopentane-1-carboxamide
CID 65472189

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120800981) is 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride is CN1C2CCCC1CC(NC(=O)C(N)C1CCOCC1)C2.Cl.Cl.
What is the InChIKey of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is VOGIILNQQWRNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.2ClH/c1-19-13-3-2-4-14(19)10-12(9-13)18-16(20)15(17)11-5-7-21-8-6-11;;/h11-15H,2-10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 368.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).