N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide

C13H24N4O — CID 114167139

IUPACN,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide
SMILESCCCn1ccnc1CNCC(C)(C)C(=O)NC
InChIInChI=1S/C13H24N4O/c1-5-7-17-8-6-16-11(17)9-15-10-13(2,3)12(18)14-4/h6,8,15H,5,7,9-10H2,1-4H3,(H,14,18)
InChIKeyCEHPZXVZLYPVRW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds7

About N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide

N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide (PubChem CID 114167139) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide
PubChem CID114167139
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide
SMILESCCCn1ccnc1CNCC(C)(C)C(=O)NC
InChIInChI=1S/C13H24N4O/c1-5-7-17-8-6-16-11(17)9-15-10-13(2,3)12(18)14-4/h6,8,15H,5,7,9-10H2,1-4H3,(H,14,18)
InChIKeyCEHPZXVZLYPVRW-UHFFFAOYSA-N
XLogP1.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-3-[(3-propylimidazol-4-yl)methylamino]propanamide
CID 114167185
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278377
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
tert-butyl N-[4-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
CID 107246928
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
N,2,2-trimethyl-3-[(2-methylpyrazol-3-yl)methylamino]propanamide
CID 115749008
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide (CID 114167139) is N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide is CCCn1ccnc1CNCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide?
The InChIKey is CEHPZXVZLYPVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-17-8-6-16-11(17)9-15-10-13(2,3)12(18)14-4/h6,8,15H,5,7,9-10H2,1-4H3,(H,14,18).
What are the key properties of N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide?
N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide is sourced from PubChem (CID 114167139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).