3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine

C53H94N6O3 — CID 158480561

IUPAC3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)NCCN1C(=O)NC(C)(c2ccccc2)C1=O.CN(C)CCCC(C)(C)C.COc1ccc(CCN2CCC(CC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO.C16H23N3O2.C9H19N.C9H21N/c1-19(2,3)15-17-10-13-20(14-11-17)12-9-16-5-7-18(21-4)8-6-16;1-15(2,3)17-10-11-19-13(20)16(4,18-14(19)21)12-8-6-5-7-9-12;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)7-6-8-10(4)5/h5-8,17H,9-15H2,1-4H3;5-9,17H,10-11H2,1-4H3,(H,18,21);4-8H2,1-3H3;6-8H2,1-5H3
InChIKeyHHLVBWURJAHKBN-UHFFFAOYSA-N
MW863.37 g/mol
LogP10.87
Rot. Bonds12

About 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine

3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine (PubChem CID 158480561) has the molecular formula C53H94N6O3 and a molecular weight of 863.37 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine
PubChem CID158480561
Molecular FormulaC53H94N6O3
Molecular Weight863.37 g/mol
Exact Mass862.74
IUPAC Name3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine
SMILESCC(C)(C)N1CCCCC1.CC(C)(C)NCCN1C(=O)NC(C)(c2ccccc2)C1=O.CN(C)CCCC(C)(C)C.COc1ccc(CCN2CCC(CC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H31NO.C16H23N3O2.C9H19N.C9H21N/c1-19(2,3)15-17-10-13-20(14-11-17)12-9-16-5-7-18(21-4)8-6-16;1-15(2,3)17-10-11-19-13(20)16(4,18-14(19)21)12-8-6-5-7-9-12;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)7-6-8-10(4)5/h5-8,17H,9-15H2,1-4H3;5-9,17H,10-11H2,1-4H3,(H,18,21);4-8H2,1-3H3;6-8H2,1-5H3
InChIKeyHHLVBWURJAHKBN-UHFFFAOYSA-N
XLogP10.87
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.37
LogP ≤ 510.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine with MolForge

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Related Compounds

1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;methane;N,N,4,4-tetramethylpentan-1-amine
CID 159084884
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732624
(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42440531
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
(5R)-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455632
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
1-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118531494
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-(quinolin-2-ylmethyl)methanamine
CID 26396180
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 122624237
N-[2-(dimethylamino)ethyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 24732325
4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-2H-phthalazin-1-one
CID 58188835
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801

Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine?
The IUPAC name of 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine (CID 158480561) is 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine is CC(C)(C)N1CCCCC1.CC(C)(C)NCCN1C(=O)NC(C)(c2ccccc2)C1=O.CN(C)CCCC(C)(C)C.COc1ccc(CCN2CCC(CC(C)(C)C)CC2)cc1.
What is the InChIKey of 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine?
The InChIKey is HHLVBWURJAHKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO.C16H23N3O2.C9H19N.C9H21N/c1-19(2,3)15-17-10-13-20(14-11-17)12-9-16-5-7-18(21-4)8-6-16;1-15(2,3)17-10-11-19-13(20)16(4,18-14(19)21)12-8-6-5-7-9-12;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)7-6-8-10(4)5/h5-8,17H,9-15H2,1-4H3;5-9,17H,10-11H2,1-4H3,(H,18,21);4-8H2,1-3H3;6-8H2,1-5H3.
What are the key properties of 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine?
3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine has a molecular weight of 863.37 g/mol, XLogP of 10.87, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione;1-tert-butylpiperidine;4-(2,2-dimethylpropyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;N,N,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 158480561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).