ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene

C16H41N — CID 156818429

IUPACethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
SMILESC=CC.CC.CC.CCC(C)C.CNC(C)C
InChIInChI=1S/C5H12.C4H11N.C3H6.2C2H6/c1-4-5(2)3;1-4(2)5-3;1-3-2;2*1-2/h5H,4H2,1-3H3;4-5H,1-3H3;3H,1H2,2H3;2*1-2H3
InChIKeyHZKQCVOXUMIIBX-UHFFFAOYSA-N
MW247.51 g/mol
LogP5.91
Rot. Bonds2

About ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene

ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene (PubChem CID 156818429) has the molecular formula C16H41N and a molecular weight of 247.51 g/mol. Its IUPAC name is ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene.

Molecular Properties

Compound Nameethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
PubChem CID156818429
Molecular FormulaC16H41N
Molecular Weight247.51 g/mol
Exact Mass247.32
IUPAC Nameethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene
SMILESC=CC.CC.CC.CCC(C)C.CNC(C)C
InChIInChI=1S/C5H12.C4H11N.C3H6.2C2H6/c1-4-5(2)3;1-4(2)5-3;1-3-2;2*1-2/h5H,4H2,1-3H3;4-5H,1-3H3;3H,1H2,2H3;2*1-2H3
InChIKeyHZKQCVOXUMIIBX-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.51
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;2-methylbutane
CID 142013560
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ethane;ethene;2-methylbutane;propane
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ethane;2-methylpropane;prop-1-ene
CID 142053608
CID 164983427
CID 164983427
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
2,3-dimethylpentane;ethane;2-methylpropane;prop-1-ene
CID 143365587
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
ethane;prop-1-ene;N,3,7,7-tetramethyloctan-4-amine
CID 142059377
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
ethane;methane;2-methylbutane;propane
CID 162144061

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene?
The IUPAC name of ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene (CID 156818429) is ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene.
What is the SMILES notation for ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene?
The canonical SMILES for ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene is C=CC.CC.CC.CCC(C)C.CNC(C)C.
What is the InChIKey of ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene?
The InChIKey is HZKQCVOXUMIIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H11N.C3H6.2C2H6/c1-4-5(2)3;1-4(2)5-3;1-3-2;2*1-2/h5H,4H2,1-3H3;4-5H,1-3H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene?
ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene has a molecular weight of 247.51 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;N-methylpropan-2-amine;prop-1-ene is sourced from PubChem (CID 156818429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).