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

C15H24N4 — CID 114528934

IUPAC2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCn1ccnc1CCn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H24N4/c1-15(2,3)17-11-13-5-8-19(12-13)9-6-14-16-7-10-18(14)4/h5,7-8,10,12,17H,6,9,11H2,1-4H3
InChIKeyPTXNJJIGDVHUOX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds5

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

2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 114528934) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID114528934
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCn1ccnc1CCn1ccc(CNC(C)(C)C)c1
InChIInChI=1S/C15H24N4/c1-15(2,3)17-11-13-5-8-19(12-13)9-6-14-16-7-10-18(14)4/h5,7-8,10,12,17H,6,9,11H2,1-4H3
InChIKeyPTXNJJIGDVHUOX-UHFFFAOYSA-N
XLogP2.35
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine
CID 114528915
N-[[1-(3,3-dimethylbutyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66404786
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
2-methyl-N-[[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 114531650
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
2-methyl-N-[[1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66404386
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 106717726
4-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026010
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
2-methyl-N-[[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]methyl]propan-2-amine
CID 66406201
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine (CID 114528934) is 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine is Cn1ccnc1CCn1ccc(CNC(C)(C)C)c1.
What is the InChIKey of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is PTXNJJIGDVHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-15(2,3)17-11-13-5-8-19(12-13)9-6-14-16-7-10-18(14)4/h5,7-8,10,12,17H,6,9,11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114528934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).