N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine

C14H22N4 — CID 79102051

IUPACN-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCCn1cncc1Cn1cccc1C(C)NC
InChIInChI=1S/C14H22N4/c1-4-7-18-11-16-9-13(18)10-17-8-5-6-14(17)12(2)15-3/h5-6,8-9,11-12,15H,4,7,10H2,1-3H3
InChIKeyUHAOSISWRMYSHO-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.42
Rot. Bonds6

About N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine

N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 79102051) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID79102051
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCCCn1cncc1Cn1cccc1C(C)NC
InChIInChI=1S/C14H22N4/c1-4-7-18-11-16-9-13(18)10-17-8-5-6-14(17)12(2)15-3/h5-6,8-9,11-12,15H,4,7,10H2,1-3H3
InChIKeyUHAOSISWRMYSHO-UHFFFAOYSA-N
XLogP2.42
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102647
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
1-[(3-propylimidazol-4-yl)methyl]pyrrole-2-carboxylic acid
CID 79112619
3-bromo-1-[(3-propylimidazol-4-yl)methyl]pyridin-2-one
CID 114761246
N-methyl-1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102137
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109904
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102946
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101642
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79101753
N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406746
1-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102847
1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
CID 82928163

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine (CID 79102051) is N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine is CCCn1cncc1Cn1cccc1C(C)NC.
What is the InChIKey of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is UHAOSISWRMYSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-7-18-11-16-9-13(18)10-17-8-5-6-14(17)12(2)15-3/h5-6,8-9,11-12,15H,4,7,10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine?
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.42, 6 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-2-yl]ethanamine is sourced from PubChem (CID 79102051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).