2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide

C9H16N4O — CID 61220570

IUPAC2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCn1ccnc1CNC(C)(C)C(N)=O
InChIInChI=1S/C9H16N4O/c1-9(2,8(10)14)12-6-7-11-4-5-13(7)3/h4-5,12H,6H2,1-3H3,(H2,10,14)
InChIKeyNPTUSXCBBIYVCV-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.23
Rot. Bonds4

About 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide

2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide (PubChem CID 61220570) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
PubChem CID61220570
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCn1ccnc1CNC(C)(C)C(N)=O
InChIInChI=1S/C9H16N4O/c1-9(2,8(10)14)12-6-7-11-4-5-13(7)3/h4-5,12H,6H2,1-3H3,(H2,10,14)
InChIKeyNPTUSXCBBIYVCV-UHFFFAOYSA-N
XLogP-0.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
3-ethyl-N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 65039838
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide (CID 61220570) is 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide is Cn1ccnc1CNC(C)(C)C(N)=O.
What is the InChIKey of 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The InChIKey is NPTUSXCBBIYVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-9(2,8(10)14)12-6-7-11-4-5-13(7)3/h4-5,12H,6H2,1-3H3,(H2,10,14).
What are the key properties of 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide has a molecular weight of 196.25 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 61220570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).