N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide

C13H22N4O — CID 66162278

IUPACN-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1cncn1C1CC1
InChIInChI=1S/C13H22N4O/c1-10(2)13(18)16-6-5-14-7-12-8-15-9-17(12)11-3-4-11/h8-11,14H,3-7H2,1-2H3,(H,16,18)
InChIKeyVUVSHMAMCZKPRL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.08
Rot. Bonds7

About N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide

N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide (PubChem CID 66162278) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
PubChem CID66162278
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNCc1cncn1C1CC1
InChIInChI=1S/C13H22N4O/c1-10(2)13(18)16-6-5-14-7-12-8-15-9-17(12)11-3-4-11/h8-11,14H,3-7H2,1-2H3,(H,16,18)
InChIKeyVUVSHMAMCZKPRL-UHFFFAOYSA-N
XLogP1.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.08
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

2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
CID 83109168
3-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylpropanamide
CID 113409676
N-cyclopropyl-3-[(3-cyclopropylimidazol-4-yl)methylamino]propanamide
CID 79394815
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113405061
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 66162549
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 66163296
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 114126843
3-[(3-cyclopropylimidazol-4-yl)methylamino]propane-1-sulfonamide
CID 66140791
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
CID 106334710
N-[(3-cyclopropylimidazol-4-yl)methyl]prop-2-yn-1-amine
CID 66163065

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide (CID 66162278) is N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNCc1cncn1C1CC1.
What is the InChIKey of N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide?
The InChIKey is VUVSHMAMCZKPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)13(18)16-6-5-14-7-12-8-15-9-17(12)11-3-4-11/h8-11,14H,3-7H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide?
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 66162278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).