N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride

C14H28ClN3O — CID 119927531

IUPACN-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)N1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-4-10(2)15-14(18)11(3)17-8-7-12-5-6-13(9-17)16-12;/h10-13,16H,4-9H2,1-3H3,(H,15,18);1H
InChIKeyWQUWBZAULUFLAT-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.54
Rot. Bonds4

About N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride

N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride (PubChem CID 119927531) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
PubChem CID119927531
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC NameN-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride
SMILESCCC(C)NC(=O)C(C)N1CCC2CCC(C1)N2.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-4-10(2)15-14(18)11(3)17-8-7-12-5-6-13(9-17)16-12;/h10-13,16H,4-9H2,1-3H3,(H,15,18);1H
InChIKeyWQUWBZAULUFLAT-UHFFFAOYSA-N
XLogP1.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylpropanamide
CID 115314435
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 115314252
2-[3-(1-aminoethyl)piperidin-1-yl]-N-butan-2-ylpropanamide;hydrochloride
CID 119925653
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904594
N-butan-2-yl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55258571
2-(4-acetylpiperidin-1-yl)-N-pentan-2-ylpropanamide
CID 63845307
N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
CID 63853233
3-pentan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115313863
1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63032568
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721431
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride?
The IUPAC name of N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride (CID 119927531) is N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride.
What is the SMILES notation for N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride?
The canonical SMILES for N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride is CCC(C)NC(=O)C(C)N1CCC2CCC(C1)N2.Cl.
What is the InChIKey of N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride?
The InChIKey is WQUWBZAULUFLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-4-10(2)15-14(18)11(3)17-8-7-12-5-6-13(9-17)16-12;/h10-13,16H,4-9H2,1-3H3,(H,15,18);1H.
What are the key properties of N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride?
N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 119927531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).