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

C18H27ClN2O — CID 119315120

IUPAC2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC2(CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O.ClH/c19-16(15-7-3-1-4-8-15)17(21)20-13-11-18(12-14-20)9-5-2-6-10-18;/h1,3-4,7-8,16H,2,5-6,9-14,19H2;1H
InChIKeyHWQAVYMWNSISEP-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.68
Rot. Bonds2

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

2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride (PubChem CID 119315120) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
PubChem CID119315120
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride
SMILESCl.NC(C(=O)N1CCC2(CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C18H26N2O.ClH/c19-16(15-7-3-1-4-8-15)17(21)20-13-11-18(12-14-20)9-5-2-6-10-18;/h1,3-4,7-8,16H,2,5-6,9-14,19H2;1H
InChIKeyHWQAVYMWNSISEP-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
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(2R)-2-amino-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylethanone
CID 81102948
2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-phenylethanone;hydrochloride
CID 119322888
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
CID 63160272
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-1-morpholin-4-yl-2-phenylethanone
CID 24701957
2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107029334
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride (CID 119315120) is 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride is Cl.NC(C(=O)N1CCC2(CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride?
The InChIKey is HWQAVYMWNSISEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c19-16(15-7-3-1-4-8-15)17(21)20-13-11-18(12-14-20)9-5-2-6-10-18;/h1,3-4,7-8,16H,2,5-6,9-14,19H2;1H.
What are the key properties of 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride?
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-2-phenylethanone;hydrochloride is sourced from PubChem (CID 119315120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).