4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide

C11H19N3O — CID 115157553

IUPAC4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
SMILESCN(C(=O)CCC(C)(C)N)c1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-11(2,12)6-4-10(15)14(3)9-5-7-13-8-9/h5,7-8,13H,4,6,12H2,1-3H3
InChIKeyBABAKPNWDQDIGY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.50
Rot. Bonds4

About 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide

4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide (PubChem CID 115157553) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide.

Molecular Properties

Compound Name4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
PubChem CID115157553
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
SMILESCN(C(=O)CCC(C)(C)N)c1cc[nH]c1
InChIInChI=1S/C11H19N3O/c1-11(2,12)6-4-10(15)14(3)9-5-7-13-8-9/h5,7-8,13H,4,6,12H2,1-3H3
InChIKeyBABAKPNWDQDIGY-UHFFFAOYSA-N
XLogP1.50
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-dimethyl-1-N-(1H-pyrrol-3-yl)butane-1,3-diamine
CID 115200501
4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide
CID 115157506
3-methyl-3-[methyl(1H-pyrrol-3-yl)amino]butanoic acid
CID 117042356
4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
CID 115157554
4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
N-methyl-N-prop-1-en-2-yl-1H-pyrrol-3-amine
CID 123405050
4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
CID 115151099
N-(6-amino-3-pyridinyl)-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115274634
4-[(6-amino-4,4-dimethylhexanoyl)-methylamino]benzoic acid
CID 104698742
4-[methyl(1H-pyrrol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165543
4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115157136
5-[(4-amino-4-methylpentanoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402268

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide?
The IUPAC name of 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide (CID 115157553) is 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide.
What is the SMILES notation for 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide?
The canonical SMILES for 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide is CN(C(=O)CCC(C)(C)N)c1cc[nH]c1.
What is the InChIKey of 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide?
The InChIKey is BABAKPNWDQDIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,12)6-4-10(15)14(3)9-5-7-13-8-9/h5,7-8,13H,4,6,12H2,1-3H3.
What are the key properties of 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide?
4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide has a molecular weight of 209.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide is sourced from PubChem (CID 115157553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).