9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C16H29ClN2O2 — CID 120988662

IUPAC9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-18(10-14-6-3-7-20-14)16(19)13-8-11-4-2-5-12(9-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H
InChIKeyWCQIZQNBPLGHLC-UHFFFAOYSA-N
MW316.87 g/mol
LogP2.20
Rot. Bonds3

About 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120988662) has the molecular formula C16H29ClN2O2 and a molecular weight of 316.87 g/mol. Its IUPAC name is 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120988662
Molecular FormulaC16H29ClN2O2
Molecular Weight316.87 g/mol
Exact Mass316.19
IUPAC Name9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(CC1CCCO1)C(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C16H28N2O2.ClH/c1-18(10-14-6-3-7-20-14)16(19)13-8-11-4-2-5-12(9-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H
InChIKeyWCQIZQNBPLGHLC-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55236563
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
2-amino-N-methyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823844
9-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983489
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62781110
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
N-methyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281282
9-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120984156
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
CID 66237284
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
9-amino-N,N-diethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983453

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120988662) is 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(CC1CCCO1)C(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is WCQIZQNBPLGHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2.ClH/c1-18(10-14-6-3-7-20-14)16(19)13-8-11-4-2-5-12(9-13)15(11)17;/h11-15H,2-10,17H2,1H3;1H.
What are the key properties of 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 316.87 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120988662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).