4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide

C12H22N4O — CID 62636568

IUPAC4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H22N4O/c1-9(2)15(3)6-5-14-12(17)11-7-10(13)8-16(11)4/h7-9H,5-6,13H2,1-4H3,(H,14,17)
InChIKeyLEEBTWJDSRWIEX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.68
Rot. Bonds5

About 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide

4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide (PubChem CID 62636568) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
PubChem CID62636568
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C12H22N4O/c1-9(2)15(3)6-5-14-12(17)11-7-10(13)8-16(11)4/h7-9H,5-6,13H2,1-4H3,(H,14,17)
InChIKeyLEEBTWJDSRWIEX-UHFFFAOYSA-N
XLogP0.68
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 82945823
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide;dihydrochloride
CID 119874425
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 70121205

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide (CID 62636568) is 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide is CC(C)N(C)CCNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide?
The InChIKey is LEEBTWJDSRWIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)15(3)6-5-14-12(17)11-7-10(13)8-16(11)4/h7-9H,5-6,13H2,1-4H3,(H,14,17).
What are the key properties of 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide?
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 62636568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).