N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide

C50H92N8O4 — CID 158952977

IUPACN-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@@H]1CCC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CCC2CCN(C2)C1
InChIInChI=1S/2C13H24N2O.2C12H22N2O/c2*1-13(2,3)12(16)14-11-5-4-10-6-7-15(8-10)9-11;2*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10/h2*10-11H,4-9H2,1-3H3,(H,14,16);2*9-10H,4-8H2,1-3H3,(H,13,15)/t2*10?,11-;2*9?,10-/m1010/s1
InChIKeyJLQWHOBBBSYFTR-QDUYCFBZSA-N
MW869.34 g/mol
LogP5.75
Rot. Bonds4

About N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide

N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide (PubChem CID 158952977) has the molecular formula C50H92N8O4 and a molecular weight of 869.34 g/mol. Its IUPAC name is N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide
PubChem CID158952977
Molecular FormulaC50H92N8O4
Molecular Weight869.34 g/mol
Exact Mass868.72
IUPAC NameN-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@@H]1CCC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CCC2CCN(C2)C1
InChIInChI=1S/2C13H24N2O.2C12H22N2O/c2*1-13(2,3)12(16)14-11-5-4-10-6-7-15(8-10)9-11;2*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10/h2*10-11H,4-9H2,1-3H3,(H,14,16);2*9-10H,4-8H2,1-3H3,(H,13,15)/t2*10?,11-;2*9?,10-/m1010/s1
InChIKeyJLQWHOBBBSYFTR-QDUYCFBZSA-N
XLogP5.75
TPSA129.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.34
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

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CID 162012686
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
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N-(1-azabicyclo[3.2.2]nonan-3-yl)acetamide
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N-(3-hydroxycyclopentyl)-2,2-dimethylpropanamide
CID 147180484
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
N-(3-fluorocyclopentyl)-2,2-dimethylpropanamide
CID 126992134
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542085
N-(azetidin-3-yl)-2,2-dimethylpropanamide
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N-(1-cyclobutyl-5-methylpiperidin-3-yl)-2,2-dimethylpropanamide
CID 112542384

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide (CID 158952977) is N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@@H]1CCC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CC2CCN(C2)C1.CC(C)(C)C(=O)N[C@H]1CCC2CCN(C2)C1.
What is the InChIKey of N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is JLQWHOBBBSYFTR-QDUYCFBZSA-N. The full InChI is InChI=1S/2C13H24N2O.2C12H22N2O/c2*1-13(2,3)12(16)14-11-5-4-10-6-7-15(8-10)9-11;2*1-12(2,3)11(15)13-10-6-9-4-5-14(7-9)8-10/h2*10-11H,4-9H2,1-3H3,(H,14,16);2*9-10H,4-8H2,1-3H3,(H,13,15)/t2*10?,11-;2*9?,10-/m1010/s1.
What are the key properties of N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide?
N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 869.34 g/mol, XLogP of 5.75, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[4.2.1]nonan-3-yl]-2,2-dimethylpropanamide;N-[(3R)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide;N-[(3S)-1-azabicyclo[3.2.1]octan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 158952977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).