N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide

C10H18N4O — CID 63002220

IUPACN,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
SMILESCC(NCc1cncn1C)C(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-8(10(15)13(2)3)12-6-9-5-11-7-14(9)4/h5,7-8,12H,6H2,1-4H3
InChIKeyFONREKVQNBOWJJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.01
Rot. Bonds4

About N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide

N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide (PubChem CID 63002220) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
PubChem CID63002220
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
SMILESCC(NCc1cncn1C)C(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-8(10(15)13(2)3)12-6-9-5-11-7-14(9)4/h5,7-8,12H,6H2,1-4H3
InChIKeyFONREKVQNBOWJJ-UHFFFAOYSA-N
XLogP-0.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 66163296
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
2-[(3-methylimidazol-4-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112690593
N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 66146748
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 62999572
1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
CID 63378660
2-cyclopropyl-2-[(3-methylimidazol-4-yl)methylamino]acetic acid
CID 66116524
2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-N,N-dimethylpropanamide
CID 61464351
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide (CID 63002220) is N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide is CC(NCc1cncn1C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide?
The InChIKey is FONREKVQNBOWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(10(15)13(2)3)12-6-9-5-11-7-14(9)4/h5,7-8,12H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide?
N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide has a molecular weight of 210.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 63002220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).