2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride

C13H27ClN2O — CID 120607933

IUPAC2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCCC(CC)(CN)C(=O)N1CCCCC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-13(5-2,10-14)12(16)15-9-7-6-8-11(15)3;/h11H,4-10,14H2,1-3H3;1H
InChIKeyRSPDIKDTKULZRU-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.57
Rot. Bonds4

About 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride

2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride (PubChem CID 120607933) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
PubChem CID120607933
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCCC(CC)(CN)C(=O)N1CCCCC1C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-13(5-2,10-14)12(16)15-9-7-6-8-11(15)3;/h11H,4-10,14H2,1-3H3;1H
InChIKeyRSPDIKDTKULZRU-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 115432105
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
4-amino-3,3-dimethyl-1-[(2S)-2-methylpiperidin-1-yl]butan-1-one
CID 145040283
2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylazepan-1-yl)propan-1-one
CID 79811691
1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 115432078
2-bromo-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82110102
2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 60866949
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride (CID 120607933) is 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride is CCC(CC)(CN)C(=O)N1CCCCC1C.Cl.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride?
The InChIKey is RSPDIKDTKULZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-13(5-2,10-14)12(16)15-9-7-6-8-11(15)3;/h11H,4-10,14H2,1-3H3;1H.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride?
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120607933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).