N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine

C14H20N2O — CID 145021388

IUPACN-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine
SMILESCCCN.O=CNc1cccc2c1C=CCC2
InChIInChI=1S/C11H11NO.C3H9N/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11;1-2-3-4/h2-3,5-8H,1,4H2,(H,12,13);2-4H2,1H3
InChIKeyXQGCTKNITGANHX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds3

About N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine

N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine (PubChem CID 145021388) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine.

Molecular Properties

Compound NameN-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine
PubChem CID145021388
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine
SMILESCCCN.O=CNc1cccc2c1C=CCC2
InChIInChI=1S/C11H11NO.C3H9N/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11;1-2-3-4/h2-3,5-8H,1,4H2,(H,12,13);2-4H2,1H3
InChIKeyXQGCTKNITGANHX-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
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-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine?
The IUPAC name of N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine (CID 145021388) is N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine.
What is the SMILES notation for N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine?
The canonical SMILES for N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine is CCCN.O=CNc1cccc2c1C=CCC2.
What is the InChIKey of N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine?
The InChIKey is XQGCTKNITGANHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.C3H9N/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11;1-2-3-4/h2-3,5-8H,1,4H2,(H,12,13);2-4H2,1H3.
What are the key properties of N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine?
N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydronaphthalen-1-yl)formamide;propan-1-amine is sourced from PubChem (CID 145021388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).