ethane;N-ethyl-N-propylpropan-1-amine;hexane

C16H39N — CID 167521099

IUPACethane;N-ethyl-N-propylpropan-1-amine;hexane
SMILESCC.CCCCCC.CCCN(CC)CCC
InChIInChI=1S/C8H19N.C6H14.C2H6/c1-4-7-9(6-3)8-5-2;1-3-5-6-4-2;1-2/h4-8H2,1-3H3;3-6H2,1-2H3;1-2H3
InChIKeyKVIUMLWLUKYUFT-UHFFFAOYSA-N
MW245.49 g/mol
LogP5.74
Rot. Bonds8

About ethane;N-ethyl-N-propylpropan-1-amine;hexane

ethane;N-ethyl-N-propylpropan-1-amine;hexane (PubChem CID 167521099) has the molecular formula C16H39N and a molecular weight of 245.49 g/mol. Its IUPAC name is ethane;N-ethyl-N-propylpropan-1-amine;hexane.

Molecular Properties

Compound Nameethane;N-ethyl-N-propylpropan-1-amine;hexane
PubChem CID167521099
Molecular FormulaC16H39N
Molecular Weight245.49 g/mol
Exact Mass245.31
IUPAC Nameethane;N-ethyl-N-propylpropan-1-amine;hexane
SMILESCC.CCCCCC.CCCN(CC)CCC
InChIInChI=1S/C8H19N.C6H14.C2H6/c1-4-7-9(6-3)8-5-2;1-3-5-6-4-2;1-2/h4-8H2,1-3H3;3-6H2,1-2H3;1-2H3
InChIKeyKVIUMLWLUKYUFT-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-propyldecan-1-amine
CID 56933807
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
N-ethyl-N,N'-di(nonyl)-N'-propylpropane-1,3-diamine
CID 171750142
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
N-ethyl-N-propylbutan-1-amine;methane;prop-1-ene
CID 178172448
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-propylpropan-1-amine;hexane?
The IUPAC name of ethane;N-ethyl-N-propylpropan-1-amine;hexane (CID 167521099) is ethane;N-ethyl-N-propylpropan-1-amine;hexane.
What is the SMILES notation for ethane;N-ethyl-N-propylpropan-1-amine;hexane?
The canonical SMILES for ethane;N-ethyl-N-propylpropan-1-amine;hexane is CC.CCCCCC.CCCN(CC)CCC.
What is the InChIKey of ethane;N-ethyl-N-propylpropan-1-amine;hexane?
The InChIKey is KVIUMLWLUKYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C6H14.C2H6/c1-4-7-9(6-3)8-5-2;1-3-5-6-4-2;1-2/h4-8H2,1-3H3;3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-propylpropan-1-amine;hexane?
ethane;N-ethyl-N-propylpropan-1-amine;hexane has a molecular weight of 245.49 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-propylpropan-1-amine;hexane is sourced from PubChem (CID 167521099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).