2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide

C10H18N4O — CID 106274648

IUPAC2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide
SMILESCc1[nH]cnc1CNCC(C)(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-7-8(14-6-13-7)4-12-5-10(2,3)9(11)15/h6,12H,4-5H2,1-3H3,(H2,11,15)(H,13,14)
InChIKeyHKWYCXXSUHXBER-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.32
Rot. Bonds5

About 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide

2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide (PubChem CID 106274648) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide
PubChem CID106274648
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide
SMILESCc1[nH]cnc1CNCC(C)(C)C(N)=O
InChIInChI=1S/C10H18N4O/c1-7-8(14-6-13-7)4-12-5-10(2,3)9(11)15/h6,12H,4-5H2,1-3H3,(H2,11,15)(H,13,14)
InChIKeyHKWYCXXSUHXBER-UHFFFAOYSA-N
XLogP0.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
4,4-Dimethyl-N-[(5-methyl-1H-imidazol-4-YL)methyl]pentanamide
CID 119067776
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
2-[4-(aminomethyl)-5-methyl-1H-imidazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 70079845
N-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 56712672
2,2,2-trifluoro-1-[4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 91837009
2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 130671592
N5-(2,2-Dimethylpropyl)-N4-ethyl-1H-imidazole-4,5-dicarboxamide
CID 46264443
N5-(2,2-dimethylpropyl)-N4-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 46264444
N4,N5-Bis(2,2-dimethylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 46264445

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide (CID 106274648) is 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide is Cc1[nH]cnc1CNCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide?
The InChIKey is HKWYCXXSUHXBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7-8(14-6-13-7)4-12-5-10(2,3)9(11)15/h6,12H,4-5H2,1-3H3,(H2,11,15)(H,13,14).
What are the key properties of 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide?
2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106274648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).