N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine

C16H26N4 — CID 79109904

IUPACN-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NC)c1ccn(Cc2cncn2CCC)c1
InChIInChI=1S/C16H26N4/c1-4-6-16(17-3)14-7-9-19(11-14)12-15-10-18-13-20(15)8-5-2/h7,9-11,13,16-17H,4-6,8,12H2,1-3H3
InChIKeyGOWXVFXUTQLEEF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds8

About N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine

N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79109904) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID79109904
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NC)c1ccn(Cc2cncn2CCC)c1
InChIInChI=1S/C16H26N4/c1-4-6-16(17-3)14-7-9-19(11-14)12-15-10-18-13-20(15)8-5-2/h7,9-11,13,16-17H,4-6,8,12H2,1-3H3
InChIKeyGOWXVFXUTQLEEF-UHFFFAOYSA-N
XLogP3.20
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109417
1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105673
cyclopropyl-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103461
N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406746
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105422
N-ethyl-1-[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-3-yl]ethanamine
CID 79099771
4-oxo-1-[(3-propylimidazol-4-yl)methyl]pyridine-3-carboxylic acid
CID 114038925
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102051
N-methyl-1-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109106
1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109274
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine
CID 115332701

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine (CID 79109904) is N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(NC)c1ccn(Cc2cncn2CCC)c1.
What is the InChIKey of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is GOWXVFXUTQLEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-4-6-16(17-3)14-7-9-19(11-14)12-15-10-18-13-20(15)8-5-2/h7,9-11,13,16-17H,4-6,8,12H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine?
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79109904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).