N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide

C13H26N2O — CID 22897375

IUPACN-hexyl-N,1-dimethylpyrrolidine-2-carboxamide
SMILESCCCCCCN(C)C(=O)C1CCCN1C
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-10-15(3)13(16)12-9-8-11-14(12)2/h12H,4-11H2,1-3H3
InChIKeyJIKHGUNCKNJQNV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.12
Rot. Bonds6

About N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide

N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide (PubChem CID 22897375) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-N,1-dimethylpyrrolidine-2-carboxamide
PubChem CID22897375
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-hexyl-N,1-dimethylpyrrolidine-2-carboxamide
SMILESCCCCCCN(C)C(=O)C1CCCN1C
InChIInChI=1S/C13H26N2O/c1-4-5-6-7-10-15(3)13(16)12-9-8-11-14(12)2/h12H,4-11H2,1-3H3
InChIKeyJIKHGUNCKNJQNV-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide (CID 22897375) is N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide is CCCCCCN(C)C(=O)C1CCCN1C.
What is the InChIKey of N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide?
The InChIKey is JIKHGUNCKNJQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-6-7-10-15(3)13(16)12-9-8-11-14(12)2/h12H,4-11H2,1-3H3.
What are the key properties of N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide?
N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 22897375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).