ethane;N-ethylpropan-1-amine;molecular hydrogen

C9H27N — CID 153336858

IUPACethane;N-ethylpropan-1-amine;molecular hydrogen
SMILESCC.CC.CCCNCC.[H][H]
InChIInChI=1S/C5H13N.2C2H6.H2/c1-3-5-6-4-2;2*1-2;/h6H,3-5H2,1-2H3;2*1-2H3;1H
InChIKeyNFFSLBMORSDCHW-UHFFFAOYSA-N
MW149.32 g/mol
LogP3.30
Rot. Bonds3

About ethane;N-ethylpropan-1-amine;molecular hydrogen

ethane;N-ethylpropan-1-amine;molecular hydrogen (PubChem CID 153336858) has the molecular formula C9H27N and a molecular weight of 149.32 g/mol. Its IUPAC name is ethane;N-ethylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethylpropan-1-amine;molecular hydrogen
PubChem CID153336858
Molecular FormulaC9H27N
Molecular Weight149.32 g/mol
Exact Mass149.21
IUPAC Nameethane;N-ethylpropan-1-amine;molecular hydrogen
SMILESCC.CC.CCCNCC.[H][H]
InChIInChI=1S/C5H13N.2C2H6.H2/c1-3-5-6-4-2;2*1-2;/h6H,3-5H2,1-2H3;2*1-2H3;1H
InChIKeyNFFSLBMORSDCHW-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
(E)-N-[3-(ethylamino)propyl]-N'-[3-(propylamino)propyl]but-2-ene-1,4-diamine;tetrahydrochloride
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ethane;propane;propan-1-ol;N-propylpropan-1-amine
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N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
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CID 122700758

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylpropan-1-amine;molecular hydrogen?
The IUPAC name of ethane;N-ethylpropan-1-amine;molecular hydrogen (CID 153336858) is ethane;N-ethylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;N-ethylpropan-1-amine;molecular hydrogen?
The canonical SMILES for ethane;N-ethylpropan-1-amine;molecular hydrogen is CC.CC.CCCNCC.[H][H].
What is the InChIKey of ethane;N-ethylpropan-1-amine;molecular hydrogen?
The InChIKey is NFFSLBMORSDCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.2C2H6.H2/c1-3-5-6-4-2;2*1-2;/h6H,3-5H2,1-2H3;2*1-2H3;1H.
What are the key properties of ethane;N-ethylpropan-1-amine;molecular hydrogen?
ethane;N-ethylpropan-1-amine;molecular hydrogen has a molecular weight of 149.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 153336858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).