3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide

C12H21N3O — CID 115153925

IUPAC3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
SMILESCC(CN)C(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C12H21N3O/c1-9(6-13)11(16)15-8-12(2,3)10-4-5-14-7-10/h4-5,7,9,14H,6,8,13H2,1-3H3,(H,15,16)
InChIKeyIQYZGKDKDQUUAH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.00
Rot. Bonds5

About 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide

3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide (PubChem CID 115153925) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
PubChem CID115153925
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
SMILESCC(CN)C(=O)NCC(C)(C)c1cc[nH]c1
InChIInChI=1S/C12H21N3O/c1-9(6-13)11(16)15-8-12(2,3)10-4-5-14-7-10/h4-5,7,9,14H,6,8,13H2,1-3H3,(H,15,16)
InChIKeyIQYZGKDKDQUUAH-UHFFFAOYSA-N
XLogP1.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187811
2-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]carbamoyl]butanoic acid
CID 115186116
2-hydroxy-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115179044
3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
CID 115161762
3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
1-N,2-dimethyl-2-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propane-1,2-diamine
CID 115133067

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide (CID 115153925) is 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide is CC(CN)C(=O)NCC(C)(C)c1cc[nH]c1.
What is the InChIKey of 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
The InChIKey is IQYZGKDKDQUUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(6-13)11(16)15-8-12(2,3)10-4-5-14-7-10/h4-5,7,9,14H,6,8,13H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide?
3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide is sourced from PubChem (CID 115153925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).