2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide

C12H20N4O — CID 66163296

IUPAC2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1cncn1C1CC1)C(=O)N(C)C
InChIInChI=1S/C12H20N4O/c1-9(12(17)15(2)3)14-7-11-6-13-8-16(11)10-4-5-10/h6,8-10,14H,4-5,7H2,1-3H3
InChIKeyNJBZRCKEUFTXHB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.78
Rot. Bonds5

About 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide

2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 66163296) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID66163296
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
SMILESCC(NCc1cncn1C1CC1)C(=O)N(C)C
InChIInChI=1S/C12H20N4O/c1-9(12(17)15(2)3)14-7-11-6-13-8-16(11)10-4-5-10/h6,8-10,14H,4-5,7H2,1-3H3
InChIKeyNJBZRCKEUFTXHB-UHFFFAOYSA-N
XLogP0.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
CID 63002220
3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 66141599
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 66162549
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
CID 104868868
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899
methyl 3-[(3-cyclopropylimidazol-4-yl)methyl-methylamino]-2-methylpropanoate
CID 66153110
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide (CID 66163296) is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide is CC(NCc1cncn1C1CC1)C(=O)N(C)C.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is NJBZRCKEUFTXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(12(17)15(2)3)14-7-11-6-13-8-16(11)10-4-5-10/h6,8-10,14H,4-5,7H2,1-3H3.
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide?
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 66163296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).