2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride

C12H25ClN2O — CID 119264220

IUPAC2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-2-8-11(13)12(15)14-9-6-4-3-5-7-10-14;/h11H,2-10,13H2,1H3;1H
InChIKeyKMIZBLUBDCCUSC-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.33
Rot. Bonds3

About 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride

2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride (PubChem CID 119264220) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
PubChem CID119264220
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCCCC1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-2-8-11(13)12(15)14-9-6-4-3-5-7-10-14;/h11H,2-10,13H2,1H3;1H
InChIKeyKMIZBLUBDCCUSC-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
2,4-diamino-1-piperidin-1-ylbutan-1-one
CID 24906298
(2R)-2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)pentan-1-one
CID 103796728
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
2-amino-1-(4-tert-butylazepan-1-yl)pentan-1-one;hydrochloride
CID 119326049
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
CID 94243526
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride (CID 119264220) is 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCCCCCC1.Cl.
What is the InChIKey of 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride?
The InChIKey is KMIZBLUBDCCUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-2-8-11(13)12(15)14-9-6-4-3-5-7-10-14;/h11H,2-10,13H2,1H3;1H.
What are the key properties of 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride?
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119264220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).