N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide

C11H18N4O — CID 63000677

IUPACN-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCn1ccnc1CNCCC(=O)NC1CC1
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(15)8-12-5-4-11(16)14-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,14,16)
InChIKeyAETQSXQITLWHBW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.18
Rot. Bonds6

About N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide

N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide (PubChem CID 63000677) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
PubChem CID63000677
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
SMILESCn1ccnc1CNCCC(=O)NC1CC1
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(15)8-12-5-4-11(16)14-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,14,16)
InChIKeyAETQSXQITLWHBW-UHFFFAOYSA-N
XLogP0.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-methylimidazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 55024779
N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 62351352
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-cyclopropyl-3-[2-[(cyclopropylamino)methyl]imidazol-1-yl]propanamide
CID 55098061
N-cyclopropyl-3-(pyrimidin-4-ylmethylamino)propanamide
CID 79385382
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide
CID 115595850
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-[(1-methylimidazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 63293461
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693
4,4-dimethyl-6-[(1-methylimidazol-2-yl)methylamino]hexanoic acid
CID 65287582

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide (CID 63000677) is N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide is Cn1ccnc1CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
The InChIKey is AETQSXQITLWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-7-6-13-10(15)8-12-5-4-11(16)14-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide?
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide has a molecular weight of 222.29 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 63000677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).