2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide

C13H26N2O2 — CID 79466116

IUPAC2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide
SMILESCC(OC1CCCC(N)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyQIWXDBGCERDBBO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide

2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide (PubChem CID 79466116) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide
PubChem CID79466116
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide
SMILESCC(OC1CCCC(N)C1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyQIWXDBGCERDBBO-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)oxy-N-propan-2-ylpropanamide
CID 79465179
2-(3-aminocyclopentyl)oxy-N-cyclopentylpropanamide
CID 79465685
2-(3-aminocyclopentyl)oxy-N-prop-2-enylpropanamide
CID 79464530
N-tert-butyl-2-(4-hydroxyiminocyclohexyl)oxypropanamide
CID 113414229
2-(3-aminocyclopentyl)oxy-N-prop-2-ynylpropanamide
CID 79464943
2-(3-aminocyclohexyl)oxybutanoic acid
CID 106940597
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973
2-(3-aminocyclopentyl)oxy-1-(azepan-1-yl)propan-1-one
CID 79465466
(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808546
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 112701696
cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198
trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707197

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide?
The IUPAC name of 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide (CID 79466116) is 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide is CC(OC1CCCC(N)C1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide?
The InChIKey is QIWXDBGCERDBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(12(16)15-13(2,3)4)17-11-7-5-6-10(14)8-11/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide?
2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)oxy-N-tert-butylpropanamide is sourced from PubChem (CID 79466116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).