N-(azacyclotridec-2-yl)formamide

C13H26N2O — CID 174886343

IUPACN-(azacyclotridec-2-yl)formamide
SMILESO=CNC1CCCCCCCCCCCN1
InChIInChI=1S/C13H26N2O/c16-12-15-13-10-8-6-4-2-1-3-5-7-9-11-14-13/h12-14H,1-11H2,(H,15,16)
InChIKeyFLPRMDKQHKDLLV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.56
Rot. Bonds2

About N-(azacyclotridec-2-yl)formamide

N-(azacyclotridec-2-yl)formamide (PubChem CID 174886343) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(azacyclotridec-2-yl)formamide.

Molecular Properties

Compound NameN-(azacyclotridec-2-yl)formamide
PubChem CID174886343
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(azacyclotridec-2-yl)formamide
SMILESO=CNC1CCCCCCCCCCCN1
InChIInChI=1S/C13H26N2O/c16-12-15-13-10-8-6-4-2-1-3-5-7-9-11-14-13/h12-14H,1-11H2,(H,15,16)
InChIKeyFLPRMDKQHKDLLV-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(azacyclotridec-2-yl)formamide?
The IUPAC name of N-(azacyclotridec-2-yl)formamide (CID 174886343) is N-(azacyclotridec-2-yl)formamide.
What is the SMILES notation for N-(azacyclotridec-2-yl)formamide?
The canonical SMILES for N-(azacyclotridec-2-yl)formamide is O=CNC1CCCCCCCCCCCN1.
What is the InChIKey of N-(azacyclotridec-2-yl)formamide?
The InChIKey is FLPRMDKQHKDLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c16-12-15-13-10-8-6-4-2-1-3-5-7-9-11-14-13/h12-14H,1-11H2,(H,15,16).
What are the key properties of N-(azacyclotridec-2-yl)formamide?
N-(azacyclotridec-2-yl)formamide has a molecular weight of 226.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azacyclotridec-2-yl)formamide is sourced from PubChem (CID 174886343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).