ethane;methanamine;2-methylbut-1-ene;2-methylpropane

C16H43N — CID 142055312

IUPACethane;methanamine;2-methylbut-1-ene;2-methylpropane
SMILESC=C(C)CC.CC.CC.CC.CC(C)C.CN
InChIInChI=1S/C5H10.C4H10.3C2H6.CH5N/c1-4-5(2)3;1-4(2)3;4*1-2/h2,4H2,1,3H3;4H,1-3H3;3*1-2H3;2H2,1H3
InChIKeyMEOGRJYNVPUDPM-UHFFFAOYSA-N
MW249.53 g/mol
LogP6.29
Rot. Bonds1

About ethane;methanamine;2-methylbut-1-ene;2-methylpropane

ethane;methanamine;2-methylbut-1-ene;2-methylpropane (PubChem CID 142055312) has the molecular formula C16H43N and a molecular weight of 249.53 g/mol. Its IUPAC name is ethane;methanamine;2-methylbut-1-ene;2-methylpropane.

Molecular Properties

Compound Nameethane;methanamine;2-methylbut-1-ene;2-methylpropane
PubChem CID142055312
Molecular FormulaC16H43N
Molecular Weight249.53 g/mol
Exact Mass249.34
IUPAC Nameethane;methanamine;2-methylbut-1-ene;2-methylpropane
SMILESC=C(C)CC.CC.CC.CC.CC(C)C.CN
InChIInChI=1S/C5H10.C4H10.3C2H6.CH5N/c1-4-5(2)3;1-4(2)3;4*1-2/h2,4H2,1,3H3;4H,1-3H3;3*1-2H3;2H2,1H3
InChIKeyMEOGRJYNVPUDPM-UHFFFAOYSA-N
XLogP6.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.53
LogP ≤ 56.29
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

butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
butane;ethane;2-methylbut-1-ene
CID 142050807
methane;bis(2-methylbut-1-ene)
CID 160529780
buta-1,2-diene;ethane;methane;2-methylbut-1-ene;2-methylpropane;propane
CID 143721190
N,N-dimethylmethanamine;2-methylbut-1-ene
CID 88812091
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
2-methylpropane;prop-1-en-2-amine
CID 174893746
butan-2-one;ethane;2-methylpropane
CID 145444223
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
ethane;2-methylbut-1-ene;(3S)-3-methylhepta-1,6-diene
CID 176715177

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-methylbut-1-ene;2-methylpropane?
The IUPAC name of ethane;methanamine;2-methylbut-1-ene;2-methylpropane (CID 142055312) is ethane;methanamine;2-methylbut-1-ene;2-methylpropane.
What is the SMILES notation for ethane;methanamine;2-methylbut-1-ene;2-methylpropane?
The canonical SMILES for ethane;methanamine;2-methylbut-1-ene;2-methylpropane is C=C(C)CC.CC.CC.CC.CC(C)C.CN.
What is the InChIKey of ethane;methanamine;2-methylbut-1-ene;2-methylpropane?
The InChIKey is MEOGRJYNVPUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H10.3C2H6.CH5N/c1-4-5(2)3;1-4(2)3;4*1-2/h2,4H2,1,3H3;4H,1-3H3;3*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-methylbut-1-ene;2-methylpropane?
ethane;methanamine;2-methylbut-1-ene;2-methylpropane has a molecular weight of 249.53 g/mol, XLogP of 6.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-methylbut-1-ene;2-methylpropane is sourced from PubChem (CID 142055312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).