2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide

C12H23N5O — CID 63024945

IUPAC2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
SMILESCCNC(C)(CN(C)Cc1nccn1C)C(N)=O
InChIInChI=1S/C12H23N5O/c1-5-15-12(2,11(13)18)9-16(3)8-10-14-6-7-17(10)4/h6-7,15H,5,8-9H2,1-4H3,(H2,13,18)
InChIKeyAVKDZZRMLAUUAF-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.29
Rot. Bonds7

About 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide (PubChem CID 63024945) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
PubChem CID63024945
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
SMILESCCNC(C)(CN(C)Cc1nccn1C)C(N)=O
InChIInChI=1S/C12H23N5O/c1-5-15-12(2,11(13)18)9-16(3)8-10-14-6-7-17(10)4/h6-7,15H,5,8-9H2,1-4H3,(H2,13,18)
InChIKeyAVKDZZRMLAUUAF-UHFFFAOYSA-N
XLogP-0.29
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 63026829
ethyl 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63024944
methyl 2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 63025456
methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
CID 64704572
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 63024969
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
2-cyclopropyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-(propylamino)propan-1-ol
CID 64789493
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799
2-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pentanal
CID 63024609
2-amino-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-phenylpropanoic acid
CID 63024592

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide (CID 63024945) is 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide is CCNC(C)(CN(C)Cc1nccn1C)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide?
The InChIKey is AVKDZZRMLAUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-15-12(2,11(13)18)9-16(3)8-10-14-6-7-17(10)4/h6-7,15H,5,8-9H2,1-4H3,(H2,13,18).
What are the key properties of 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide?
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide has a molecular weight of 253.35 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 63024945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).