N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide

C11H20N4O — CID 91645379

IUPACN-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide
SMILESCN(CCCN)C(=O)CCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-14(7-3-5-12)11(16)4-2-8-15-9-6-13-10-15/h6,9-10H,2-5,7-8,12H2,1H3
InChIKeyCTQOYESIKDMYGL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.47
Rot. Bonds7

About N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide

N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide (PubChem CID 91645379) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide
PubChem CID91645379
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide
SMILESCN(CCCN)C(=O)CCCn1ccnc1
InChIInChI=1S/C11H20N4O/c1-14(7-3-5-12)11(16)4-2-8-15-9-6-13-10-15/h6,9-10H,2-5,7-8,12H2,1H3
InChIKeyCTQOYESIKDMYGL-UHFFFAOYSA-N
XLogP0.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065550
1-Butyrylimidazole
CID 643404
1-(4-Imidazol-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 15065548
1-[4-(2-Ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065551
N-(4-imidazol-1-ylbut-2-ynyl)-N-methylacetamide
CID 15065557
1-(5-Imidazol-1-ylpent-3-yn-2-yl)pyrrolidin-2-one
CID 15065584
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
2,2,3,3-tetrafluoro-N,N'-bis[3-(1H-imidazol-1-yl)propyl]succinamide
CID 2932359
N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide?
The IUPAC name of N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide (CID 91645379) is N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide is CN(CCCN)C(=O)CCCn1ccnc1.
What is the InChIKey of N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide?
The InChIKey is CTQOYESIKDMYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14(7-3-5-12)11(16)4-2-8-15-9-6-13-10-15/h6,9-10H,2-5,7-8,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide?
N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-imidazol-1-yl-N-methylbutanamide is sourced from PubChem (CID 91645379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).