N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C11H19N3O — CID 119628873

IUPACN-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(C)(C)N)[nH]1
InChIInChI=1S/C11H19N3O/c1-7-5-8(2)14-9(7)10(15)13-6-11(3,4)12/h5,14H,6,12H2,1-4H3,(H,13,15)
InChIKeyKMASWKUQEKUEHB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.10
Rot. Bonds3

About N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 119628873) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID119628873
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(C)(C)N)[nH]1
InChIInChI=1S/C11H19N3O/c1-7-5-8(2)14-9(7)10(15)13-6-11(3,4)12/h5,14H,6,12H2,1-4H3,(H,13,15)
InChIKeyKMASWKUQEKUEHB-UHFFFAOYSA-N
XLogP1.10
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 119628873) is N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is Cc1cc(C)c(C(=O)NCC(C)(C)N)[nH]1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is KMASWKUQEKUEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-5-8(2)14-9(7)10(15)13-6-11(3,4)12/h5,14H,6,12H2,1-4H3,(H,13,15).
What are the key properties of N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119628873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).