ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene

C13H33N — CID 142953016

IUPACethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CCN(C)CC
InChIInChI=1S/C5H13N.C4H8.2C2H6/c1-4-6(3)5-2;1-4(2)3;2*1-2/h4-5H2,1-3H3;1H2,2-3H3;2*1-2H3
InChIKeyVJPOAHCWWNETDW-UHFFFAOYSA-N
MW203.41 g/mol
LogP4.59
Rot. Bonds2

About ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene

ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene (PubChem CID 142953016) has the molecular formula C13H33N and a molecular weight of 203.41 g/mol. Its IUPAC name is ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene.

Molecular Properties

Compound Nameethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene
PubChem CID142953016
Molecular FormulaC13H33N
Molecular Weight203.41 g/mol
Exact Mass203.26
IUPAC Nameethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.CCN(C)CC
InChIInChI=1S/C5H13N.C4H8.2C2H6/c1-4-6(3)5-2;1-4(2)3;2*1-2/h4-5H2,1-3H3;1H2,2-3H3;2*1-2H3
InChIKeyVJPOAHCWWNETDW-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene?
The IUPAC name of ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene (CID 142953016) is ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene.
What is the SMILES notation for ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene?
The canonical SMILES for ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene is C=C(C)C.CC.CC.CCN(C)CC.
What is the InChIKey of ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene?
The InChIKey is VJPOAHCWWNETDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C4H8.2C2H6/c1-4-6(3)5-2;1-4(2)3;2*1-2/h4-5H2,1-3H3;1H2,2-3H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene?
ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene has a molecular weight of 203.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-methylethanamine;2-methylprop-1-ene is sourced from PubChem (CID 142953016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).