3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide

C15H27N3O — CID 115187811

IUPAC3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
SMILESCNCC(C(=O)NCC(C)(C)c1cc[nH]c1)C(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)13(9-16-5)14(19)18-10-15(3,4)12-6-7-17-8-12/h6-8,11,13,16-17H,9-10H2,1-5H3,(H,18,19)
InChIKeyCRDXJJUFZMIRFB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.90
Rot. Bonds7

About 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide

3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide (PubChem CID 115187811) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
PubChem CID115187811
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
SMILESCNCC(C(=O)NCC(C)(C)c1cc[nH]c1)C(C)C
InChIInChI=1S/C15H27N3O/c1-11(2)13(9-16-5)14(19)18-10-15(3,4)12-6-7-17-8-12/h6-8,11,13,16-17H,9-10H2,1-5H3,(H,18,19)
InChIKeyCRDXJJUFZMIRFB-UHFFFAOYSA-N
XLogP1.90
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.90
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-amino-2-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]propanamide
CID 115153925
3-methyl-2-(methylaminomethyl)-N-(1H-pyrrol-3-yl)butanamide
CID 115187638
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
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
CID 115161762
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide
CID 119738068
(2S)-2-(hydroxymethyl)-N-[(2R)-2-hydroxy-2-phenylpropyl]-3-methylbutanamide
CID 99787425
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-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide (CID 115187811) is 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide is CNCC(C(=O)NCC(C)(C)c1cc[nH]c1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
The InChIKey is CRDXJJUFZMIRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)13(9-16-5)14(19)18-10-15(3,4)12-6-7-17-8-12/h6-8,11,13,16-17H,9-10H2,1-5H3,(H,18,19).
What are the key properties of 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide?
3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide has a molecular weight of 265.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide is sourced from PubChem (CID 115187811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).