3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

C18H31ClN4O3 — CID 119633530

IUPAC3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCCC1CN)C2=O.Cl
InChIInChI=1S/C18H30N4O3.ClH/c1-12-7-17(2,3)11-18(8-12)15(24)22(16(25)20-18)10-14(23)21-6-4-5-13(21)9-19;/h12-13H,4-11,19H2,1-3H3,(H,20,25);1H
InChIKeyQHEAGWAUNUWOMA-UHFFFAOYSA-N
MW386.92 g/mol
LogP1.49
Rot. Bonds3

About 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 119633530) has the molecular formula C18H31ClN4O3 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID119633530
Molecular FormulaC18H31ClN4O3
Molecular Weight386.92 g/mol
Exact Mass386.21
IUPAC Name3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCCC1CN)C2=O.Cl
InChIInChI=1S/C18H30N4O3.ClH/c1-12-7-17(2,3)11-18(8-12)15(24)22(16(25)20-18)10-14(23)21-6-4-5-13(21)9-19;/h12-13H,4-11,19H2,1-3H3,(H,20,25);1H
InChIKeyQHEAGWAUNUWOMA-UHFFFAOYSA-N
XLogP1.49
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355875
3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46532817
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119632085
N-(1-amino-2-methylpropan-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119523992
cyclohexylmethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 29458864
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
N-(1-amino-4-methylpentan-2-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119587792
(5S,9R)-3-[2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 97091250
N-cycloheptyl-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25401084
ethyl (3R)-4-[2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]thiomorpholine-3-carboxylate
CID 98690657
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 119650021
N-methoxy-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43010885

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 119633530) is 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N1CCCC1CN)C2=O.Cl.
What is the InChIKey of 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is QHEAGWAUNUWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3.ClH/c1-12-7-17(2,3)11-18(8-12)15(24)22(16(25)20-18)10-14(23)21-6-4-5-13(21)9-19;/h12-13H,4-11,19H2,1-3H3,(H,20,25);1H.
What are the key properties of 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 119633530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).