N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine

C15H24N4 — CID 79099161

IUPACN-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(Cc2nccn2CC)c1
InChIInChI=1S/C15H24N4/c1-4-7-16-13(3)14-6-9-18(11-14)12-15-17-8-10-19(15)5-2/h6,8-11,13,16H,4-5,7,12H2,1-3H3
InChIKeyBGLPQAXOXHEEFH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.81
Rot. Bonds7

About N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine

N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine (PubChem CID 79099161) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
PubChem CID79099161
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(Cc2nccn2CC)c1
InChIInChI=1S/C15H24N4/c1-4-7-16-13(3)14-6-9-18(11-14)12-15-17-8-10-19(15)5-2/h6,8-11,13,16H,4-5,7,12H2,1-3H3
InChIKeyBGLPQAXOXHEEFH-UHFFFAOYSA-N
XLogP2.81
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098261
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
cyclopropyl-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
CID 79103302
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79108153
N-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
N-[1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099254
N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098824
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79098937
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol
CID 79107184

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine (CID 79099161) is N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine is CCCNC(C)c1ccn(Cc2nccn2CC)c1.
What is the InChIKey of N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
The InChIKey is BGLPQAXOXHEEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-7-16-13(3)14-6-9-18(11-14)12-15-17-8-10-19(15)5-2/h6,8-11,13,16H,4-5,7,12H2,1-3H3.
What are the key properties of N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine?
N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79099161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).