N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine

C15H24N4 — CID 66402249

IUPACN-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cncc1Cn1cccc1CNCC(C)C
InChIInChI=1S/C15H24N4/c1-4-18-12-17-10-15(18)11-19-7-5-6-14(19)9-16-8-13(2)3/h5-7,10,12-13,16H,4,8-9,11H2,1-3H3
InChIKeyPSONRJOVNGLZDN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds7

About N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66402249) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66402249
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1cncc1Cn1cccc1CNCC(C)C
InChIInChI=1S/C15H24N4/c1-4-18-12-17-10-15(18)11-19-7-5-6-14(19)9-16-8-13(2)3/h5-7,10,12-13,16H,4,8-9,11H2,1-3H3
InChIKeyPSONRJOVNGLZDN-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106302295
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403801
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[[1-[(2-bromophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402822
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520
2-methyl-N-[[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66402434
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
2-methyl-N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrol-2-yl]methyl]propan-1-amine
CID 66400862
N-[[1-(3-imidazol-1-ylpropyl)pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403216
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 66134874
N-[[1-[(2,3-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402047

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine (CID 66402249) is N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is CCn1cncc1Cn1cccc1CNCC(C)C.
What is the InChIKey of N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PSONRJOVNGLZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-18-12-17-10-15(18)11-19-7-5-6-14(19)9-16-8-13(2)3/h5-7,10,12-13,16H,4,8-9,11H2,1-3H3.
What are the key properties of N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66402249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).