ethane;propane;propan-1-ol;N-propylpropan-1-amine

C14H37NO — CID 143703279

IUPACethane;propane;propan-1-ol;N-propylpropan-1-amine
SMILESCC.CCC.CCCNCCC.CCCO
InChIInChI=1S/C6H15N.C3H8O.C3H8.C2H6/c1-3-5-7-6-4-2;1-2-3-4;1-3-2;1-2/h7H,3-6H2,1-2H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyIFFJLCIUQVCHCP-UHFFFAOYSA-N
MW235.46 g/mol
LogP4.23
Rot. Bonds5

About ethane;propane;propan-1-ol;N-propylpropan-1-amine

ethane;propane;propan-1-ol;N-propylpropan-1-amine (PubChem CID 143703279) has the molecular formula C14H37NO and a molecular weight of 235.46 g/mol. Its IUPAC name is ethane;propane;propan-1-ol;N-propylpropan-1-amine.

Molecular Properties

Compound Nameethane;propane;propan-1-ol;N-propylpropan-1-amine
PubChem CID143703279
Molecular FormulaC14H37NO
Molecular Weight235.46 g/mol
Exact Mass235.29
IUPAC Nameethane;propane;propan-1-ol;N-propylpropan-1-amine
SMILESCC.CCC.CCCNCCC.CCCO
InChIInChI=1S/C6H15N.C3H8O.C3H8.C2H6/c1-3-5-7-6-4-2;1-2-3-4;1-3-2;1-2/h7H,3-6H2,1-2H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyIFFJLCIUQVCHCP-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propane-1,3-diol;N-propylpropan-1-amine
CID 87073043
2-(propylamino)ethanol;hydrobromide
CID 175488073
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
N-butylbutan-1-amine;propan-1-ol
CID 174657089
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
2-[2-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156860733
N-[2-(propylamino)ethyl]hydroxylamine
CID 145161066
methanol;propylaminomethanol;hydrate
CID 173447379
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
ethane;3-(propylamino)propanoic acid
CID 145416081

Frequently Asked Questions

What is the IUPAC name of ethane;propane;propan-1-ol;N-propylpropan-1-amine?
The IUPAC name of ethane;propane;propan-1-ol;N-propylpropan-1-amine (CID 143703279) is ethane;propane;propan-1-ol;N-propylpropan-1-amine.
What is the SMILES notation for ethane;propane;propan-1-ol;N-propylpropan-1-amine?
The canonical SMILES for ethane;propane;propan-1-ol;N-propylpropan-1-amine is CC.CCC.CCCNCCC.CCCO.
What is the InChIKey of ethane;propane;propan-1-ol;N-propylpropan-1-amine?
The InChIKey is IFFJLCIUQVCHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H8O.C3H8.C2H6/c1-3-5-7-6-4-2;1-2-3-4;1-3-2;1-2/h7H,3-6H2,1-2H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;propan-1-ol;N-propylpropan-1-amine?
ethane;propane;propan-1-ol;N-propylpropan-1-amine has a molecular weight of 235.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;propan-1-ol;N-propylpropan-1-amine is sourced from PubChem (CID 143703279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).