2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide

C10H20N4O — CID 120969175

IUPAC2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide
SMILESCC1CN=C(NCCNC(=O)C(C)C)N1
InChIInChI=1S/C10H20N4O/c1-7(2)9(15)11-4-5-12-10-13-6-8(3)14-10/h7-8H,4-6H2,1-3H3,(H,11,15)(H2,12,13,14)
InChIKeyIRBKIVXATJVELY-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.30
Rot. Bonds4

About 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide

2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide (PubChem CID 120969175) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide
PubChem CID120969175
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide
SMILESCC1CN=C(NCCNC(=O)C(C)C)N1
InChIInChI=1S/C10H20N4O/c1-7(2)9(15)11-4-5-12-10-13-6-8(3)14-10/h7-8H,4-6H2,1-3H3,(H,11,15)(H2,12,13,14)
InChIKeyIRBKIVXATJVELY-UHFFFAOYSA-N
XLogP-0.30
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120971702
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N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
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1-(4,5-dihydro-1H-imidazol-2-ylamino)-4-methylpentan-3-one
CID 58774108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide (CID 120969175) is 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide is CC1CN=C(NCCNC(=O)C(C)C)N1.
What is the InChIKey of 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide?
The InChIKey is IRBKIVXATJVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(2)9(15)11-4-5-12-10-13-6-8(3)14-10/h7-8H,4-6H2,1-3H3,(H,11,15)(H2,12,13,14).
What are the key properties of 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide?
2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide has a molecular weight of 212.30 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 120969175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).