ethanamine;N-(2-phenylethyl)formamide;propane

C14H26N2O — CID 143077311

IUPACethanamine;N-(2-phenylethyl)formamide;propane
SMILESCCC.CCN.O=CNCCc1ccccc1
InChIInChI=1S/C9H11NO.C3H8.C2H7N/c11-8-10-7-6-9-4-2-1-3-5-9;1-3-2;1-2-3/h1-5,8H,6-7H2,(H,10,11);3H2,1-2H3;2-3H2,1H3
InChIKeyXFKIMLMRTDALKE-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.36
Rot. Bonds4

About ethanamine;N-(2-phenylethyl)formamide;propane

ethanamine;N-(2-phenylethyl)formamide;propane (PubChem CID 143077311) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is ethanamine;N-(2-phenylethyl)formamide;propane.

Molecular Properties

Compound Nameethanamine;N-(2-phenylethyl)formamide;propane
PubChem CID143077311
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Nameethanamine;N-(2-phenylethyl)formamide;propane
SMILESCCC.CCN.O=CNCCc1ccccc1
InChIInChI=1S/C9H11NO.C3H8.C2H7N/c11-8-10-7-6-9-4-2-1-3-5-9;1-3-2;1-2-3/h1-5,8H,6-7H2,(H,10,11);3H2,1-2H3;2-3H2,1H3
InChIKeyXFKIMLMRTDALKE-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-benzylformamide
CID 139060556
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Frequently Asked Questions

What is the IUPAC name of ethanamine;N-(2-phenylethyl)formamide;propane?
The IUPAC name of ethanamine;N-(2-phenylethyl)formamide;propane (CID 143077311) is ethanamine;N-(2-phenylethyl)formamide;propane.
What is the SMILES notation for ethanamine;N-(2-phenylethyl)formamide;propane?
The canonical SMILES for ethanamine;N-(2-phenylethyl)formamide;propane is CCC.CCN.O=CNCCc1ccccc1.
What is the InChIKey of ethanamine;N-(2-phenylethyl)formamide;propane?
The InChIKey is XFKIMLMRTDALKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C3H8.C2H7N/c11-8-10-7-6-9-4-2-1-3-5-9;1-3-2;1-2-3/h1-5,8H,6-7H2,(H,10,11);3H2,1-2H3;2-3H2,1H3.
What are the key properties of ethanamine;N-(2-phenylethyl)formamide;propane?
ethanamine;N-(2-phenylethyl)formamide;propane has a molecular weight of 238.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;N-(2-phenylethyl)formamide;propane is sourced from PubChem (CID 143077311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).