N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide

C10H18N4O — CID 60696120

IUPACN-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1nccn1C
InChIInChI=1S/C10H18N4O/c1-4-11-10(15)8(2)13-7-9-12-5-6-14(9)3/h5-6,8,13H,4,7H2,1-3H3,(H,11,15)
InChIKeyCBMHFWIPECCTNW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.03
Rot. Bonds5

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

N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide (PubChem CID 60696120) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
PubChem CID60696120
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1nccn1C
InChIInChI=1S/C10H18N4O/c1-4-11-10(15)8(2)13-7-9-12-5-6-14(9)3/h5-6,8,13H,4,7H2,1-3H3,(H,11,15)
InChIKeyCBMHFWIPECCTNW-UHFFFAOYSA-N
XLogP0.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63295598
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
CID 58012732
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide (CID 60696120) is N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide is CCNC(=O)C(C)NCc1nccn1C.
What is the InChIKey of N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
The InChIKey is CBMHFWIPECCTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-11-10(15)8(2)13-7-9-12-5-6-14(9)3/h5-6,8,13H,4,7H2,1-3H3,(H,11,15).
What are the key properties of N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide?
N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 60696120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).