N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide

C11H19N3O — CID 80697811

IUPACN-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-5-9(8-12)14-11(15)10-6-4-7-13-10/h4,6-7,9,13H,2-3,5,8,12H2,1H3,(H,14,15)
InChIKeyQLWOURYPTOHDBK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.26
Rot. Bonds6

About N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide

N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 80697811) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID80697811
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc[nH]1
InChIInChI=1S/C11H19N3O/c1-2-3-5-9(8-12)14-11(15)10-6-4-7-13-10/h4,6-7,9,13H,2-3,5,8,12H2,1H3,(H,14,15)
InChIKeyQLWOURYPTOHDBK-UHFFFAOYSA-N
XLogP1.26
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
CID 80697182
N-(1-aminohexan-2-yl)-2-(4-fluorobenzoyl)benzamide;hydrochloride
CID 119665027
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide (CID 80697811) is N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide is CCCCC(CN)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is QLWOURYPTOHDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-5-9(8-12)14-11(15)10-6-4-7-13-10/h4,6-7,9,13H,2-3,5,8,12H2,1H3,(H,14,15).
What are the key properties of N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide?
N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 80697811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).