N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine

C15H24N4 — CID 78962048

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCCn1c(C)cc(CNC(C)Cn2ccnc2)c1C
InChIInChI=1S/C15H24N4/c1-5-19-13(3)8-15(14(19)4)9-17-12(2)10-18-7-6-16-11-18/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyRXDOBKFEWAMXFA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds6

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 78962048) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID78962048
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
SMILESCCn1c(C)cc(CNC(C)Cn2ccnc2)c1C
InChIInChI=1S/C15H24N4/c1-5-19-13(3)8-15(14(19)4)9-17-12(2)10-18-7-6-16-11-18/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyRXDOBKFEWAMXFA-UHFFFAOYSA-N
XLogP2.50
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine
CID 79604822
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
1-imidazol-1-yl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
CID 62741188
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 56714307
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 47030748
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 115652117
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine (CID 78962048) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine is CCn1c(C)cc(CNC(C)Cn2ccnc2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is RXDOBKFEWAMXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-19-13(3)8-15(14(19)4)9-17-12(2)10-18-7-6-16-11-18/h6-8,11-12,17H,5,9-10H2,1-4H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 78962048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).