ethane;N-ethylethanamine;heptane

C13H33N — CID 144585900

IUPACethane;N-ethylethanamine;heptane
SMILESCC.CCCCCCC.CCNCC
InChIInChI=1S/C7H16.C4H11N.C2H6/c1-3-5-7-6-4-2;1-3-5-4-2;1-2/h3-7H2,1-2H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyIQEFKVTYTWDNLU-UHFFFAOYSA-N
MW203.41 g/mol
LogP4.62
Rot. Bonds6

About ethane;N-ethylethanamine;heptane

ethane;N-ethylethanamine;heptane (PubChem CID 144585900) has the molecular formula C13H33N and a molecular weight of 203.41 g/mol. Its IUPAC name is ethane;N-ethylethanamine;heptane.

Molecular Properties

Compound Nameethane;N-ethylethanamine;heptane
PubChem CID144585900
Molecular FormulaC13H33N
Molecular Weight203.41 g/mol
Exact Mass203.26
IUPAC Nameethane;N-ethylethanamine;heptane
SMILESCC.CCCCCCC.CCNCC
InChIInChI=1S/C7H16.C4H11N.C2H6/c1-3-5-7-6-4-2;1-3-5-4-2;1-2/h3-7H2,1-2H3;5H,3-4H2,1-2H3;1-2H3
InChIKeyIQEFKVTYTWDNLU-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.41
LogP ≤ 54.62
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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N-ethylethanamine;hexan-1-amine
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ethane;octadecane
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CID 143798438
CID 143798438
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
ethane;heptane;pentane
CID 142269041
ethane;methane;tridecane
CID 159295261
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
ethane;tris(heptane);propane
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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylethanamine;heptane?
The IUPAC name of ethane;N-ethylethanamine;heptane (CID 144585900) is ethane;N-ethylethanamine;heptane.
What is the SMILES notation for ethane;N-ethylethanamine;heptane?
The canonical SMILES for ethane;N-ethylethanamine;heptane is CC.CCCCCCC.CCNCC.
What is the InChIKey of ethane;N-ethylethanamine;heptane?
The InChIKey is IQEFKVTYTWDNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C4H11N.C2H6/c1-3-5-7-6-4-2;1-3-5-4-2;1-2/h3-7H2,1-2H3;5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethylethanamine;heptane?
ethane;N-ethylethanamine;heptane has a molecular weight of 203.41 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylethanamine;heptane is sourced from PubChem (CID 144585900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).