9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H35ClN2O2 — CID 120994125

IUPAC9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)CC1CC(NC(=O)C2CC3CCCC(C2)C3N)CCO1.Cl
InChIInChI=1S/C19H34N2O2.ClH/c1-12(2)8-17-11-16(6-7-23-17)21-19(22)15-9-13-4-3-5-14(10-15)18(13)20;/h12-18H,3-11,20H2,1-2H3,(H,21,22);1H
InChIKeyCXMNBZNRMFRPNG-UHFFFAOYSA-N
MW358.95 g/mol
LogP3.27
Rot. Bonds4

About 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120994125) has the molecular formula C19H35ClN2O2 and a molecular weight of 358.95 g/mol. Its IUPAC name is 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120994125
Molecular FormulaC19H35ClN2O2
Molecular Weight358.95 g/mol
Exact Mass358.24
IUPAC Name9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)CC1CC(NC(=O)C2CC3CCCC(C2)C3N)CCO1.Cl
InChIInChI=1S/C19H34N2O2.ClH/c1-12(2)8-17-11-16(6-7-23-17)21-19(22)15-9-13-4-3-5-14(10-15)18(13)20;/h12-18H,3-11,20H2,1-2H3,(H,21,22);1H
InChIKeyCXMNBZNRMFRPNG-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.95
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983734
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991798
9-amino-N-(3,5-dimethylcyclohexyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120990552
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
2-[2-[[2-(2-methylpropyl)oxan-4-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 120551251
9-amino-N-[(2-propan-2-yloxan-3-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991857
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988323
9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988662
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120991436

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120994125) is 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)CC1CC(NC(=O)C2CC3CCCC(C2)C3N)CCO1.Cl.
What is the InChIKey of 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is CXMNBZNRMFRPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2.ClH/c1-12(2)8-17-11-16(6-7-23-17)21-19(22)15-9-13-4-3-5-14(10-15)18(13)20;/h12-18H,3-11,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 358.95 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2-methylpropyl)oxan-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120994125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).