2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole

C26H46N8O — CID 167606490

IUPAC2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole
SMILESCC(C)(C)CCCc1cnc[nH]1.CC(C)(C)NC(=O)C(N)Cc1cnc[nH]1.CCCc1cnc[nH]1
InChIInChI=1S/C10H18N4O.C10H18N2.C6H10N2/c1-10(2,3)14-9(15)8(11)4-7-5-12-6-13-7;1-10(2,3)6-4-5-9-7-11-8-12-9;1-2-3-6-4-7-5-8-6/h5-6,8H,4,11H2,1-3H3,(H,12,13)(H,14,15);7-8H,4-6H2,1-3H3,(H,11,12);4-5H,2-3H2,1H3,(H,7,8)
InChIKeyKLMUXJIVAXZOKC-UHFFFAOYSA-N
MW486.71 g/mol
LogP4.33
Rot. Bonds8

About 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole

2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole (PubChem CID 167606490) has the molecular formula C26H46N8O and a molecular weight of 486.71 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole.

Molecular Properties

Compound Name2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole
PubChem CID167606490
Molecular FormulaC26H46N8O
Molecular Weight486.71 g/mol
Exact Mass486.38
IUPAC Name2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole
SMILESCC(C)(C)CCCc1cnc[nH]1.CC(C)(C)NC(=O)C(N)Cc1cnc[nH]1.CCCc1cnc[nH]1
InChIInChI=1S/C10H18N4O.C10H18N2.C6H10N2/c1-10(2,3)14-9(15)8(11)4-7-5-12-6-13-7;1-10(2,3)6-4-5-9-7-11-8-12-9;1-2-3-6-4-7-5-8-6/h5-6,8H,4,11H2,1-3H3,(H,12,13)(H,14,15);7-8H,4-6H2,1-3H3,(H,11,12);4-5H,2-3H2,1H3,(H,7,8)
InChIKeyKLMUXJIVAXZOKC-UHFFFAOYSA-N
XLogP4.33
TPSA141.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.71
LogP ≤ 54.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
3,3-dimethylbutyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 66224172
N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]icosanamide
CID 139763969
(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
CID 25021753
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]butanoic acid
CID 4060209
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
butyl 2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
CID 90675049
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323
2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane
CID 168886358
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole?
The IUPAC name of 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole (CID 167606490) is 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole.
What is the SMILES notation for 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole?
The canonical SMILES for 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole is CC(C)(C)CCCc1cnc[nH]1.CC(C)(C)NC(=O)C(N)Cc1cnc[nH]1.CCCc1cnc[nH]1.
What is the InChIKey of 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole?
The InChIKey is KLMUXJIVAXZOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.C10H18N2.C6H10N2/c1-10(2,3)14-9(15)8(11)4-7-5-12-6-13-7;1-10(2,3)6-4-5-9-7-11-8-12-9;1-2-3-6-4-7-5-8-6/h5-6,8H,4,11H2,1-3H3,(H,12,13)(H,14,15);7-8H,4-6H2,1-3H3,(H,11,12);4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole?
2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole has a molecular weight of 486.71 g/mol, XLogP of 4.33, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-3-(1H-imidazol-5-yl)propanamide;5-(4,4-dimethylpentyl)-1H-imidazole;5-propyl-1H-imidazole is sourced from PubChem (CID 167606490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).