2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride

C16H31ClN2O — CID 119784774

IUPAC2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCC2(CCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-3-13(2)14(17)15(19)18-11-7-10-16(12-18)8-5-4-6-9-16;/h13-14H,3-12,17H2,1-2H3;1H
InChIKeySQBFTOKKOHXQAT-UHFFFAOYSA-N
MW302.89 g/mol
LogP3.35
Rot. Bonds3

About 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride

2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride (PubChem CID 119784774) has the molecular formula C16H31ClN2O and a molecular weight of 302.89 g/mol. Its IUPAC name is 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
PubChem CID119784774
Molecular FormulaC16H31ClN2O
Molecular Weight302.89 g/mol
Exact Mass302.21
IUPAC Name2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCCC2(CCCCC2)C1.Cl
InChIInChI=1S/C16H30N2O.ClH/c1-3-13(2)14(17)15(19)18-11-7-10-16(12-18)8-5-4-6-9-16;/h13-14H,3-12,17H2,1-2H3;1H
InChIKeySQBFTOKKOHXQAT-UHFFFAOYSA-N
XLogP3.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.89
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087
(2R)-2-amino-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one;hydrochloride
CID 119338501
(2S)-2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-4-methylpentan-1-one;hydrochloride
CID 119784790
1-[(2S)-2-amino-3-methylpentanoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164336
2-amino-3-methyl-1-(1-thia-4-azaspiro[5.5]undecan-4-yl)pentan-1-one
CID 119807658
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-3-methylpentan-1-one;hydrochloride
CID 119399357
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119794424
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride (CID 119784774) is 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CCCC2(CCCCC2)C1.Cl.
What is the InChIKey of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride?
The InChIKey is SQBFTOKKOHXQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.ClH/c1-3-13(2)14(17)15(19)18-11-7-10-16(12-18)8-5-4-6-9-16;/h13-14H,3-12,17H2,1-2H3;1H.
What are the key properties of 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride?
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride has a molecular weight of 302.89 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119784774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).