N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide

C10H18N2O — CID 141086856

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide
SMILESO=CNC1NCCC2CCCCC21
InChIInChI=1S/C10H18N2O/c13-7-12-10-9-4-2-1-3-8(9)5-6-11-10/h7-11H,1-6H2,(H,12,13)
InChIKeyYGMLVNDUWWUHQC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.86
Rot. Bonds2

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide (PubChem CID 141086856) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide
PubChem CID141086856
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide
SMILESO=CNC1NCCC2CCCCC21
InChIInChI=1S/C10H18N2O/c13-7-12-10-9-4-2-1-3-8(9)5-6-11-10/h7-11H,1-6H2,(H,12,13)
InChIKeyYGMLVNDUWWUHQC-UHFFFAOYSA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.86
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-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide (CID 141086856) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide is O=CNC1NCCC2CCCCC21.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide?
The InChIKey is YGMLVNDUWWUHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-7-12-10-9-4-2-1-3-8(9)5-6-11-10/h7-11H,1-6H2,(H,12,13).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide has a molecular weight of 182.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide is sourced from PubChem (CID 141086856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).