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

C14H22N4 — CID 66402190

IUPACN-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCCn1ccnc1Cn1cccc1CNC(C)C
InChIInChI=1S/C14H22N4/c1-4-17-9-7-15-14(17)11-18-8-5-6-13(18)10-16-12(2)3/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyJOEJMFNVBFFNKL-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.25
Rot. Bonds6

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

N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine (PubChem CID 66402190) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
PubChem CID66402190
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
SMILESCCn1ccnc1Cn1cccc1CNC(C)C
InChIInChI=1S/C14H22N4/c1-4-17-9-7-15-14(17)11-18-8-5-6-13(18)10-16-12(2)3/h5-9,12,16H,4,10-11H2,1-3H3
InChIKeyJOEJMFNVBFFNKL-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102946
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylbutan-2-amine
CID 66411115
N-[[1-[(3,5-difluorophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 105405116
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
N-[[1-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400804
1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652741
N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66401206
N-[[1-[(1-methylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 66402532
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66403749
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine (CID 66402190) is N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine is CCn1ccnc1Cn1cccc1CNC(C)C.
What is the InChIKey of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
The InChIKey is JOEJMFNVBFFNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-17-9-7-15-14(17)11-18-8-5-6-13(18)10-16-12(2)3/h5-9,12,16H,4,10-11H2,1-3H3.
What are the key properties of N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine?
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66402190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).