butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane

C29H75N — CID 176918653

IUPACbutane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane
SMILESCC.CC.CCC(C)C.CCC(C)CC.CCCC.CCCC.CCCC.CNC
InChIInChI=1S/C6H14.C5H12.3C4H10.C2H7N.2C2H6/c1-4-6(3)5-2;1-4-5(2)3;3*1-3-4-2;1-3-2;2*1-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;3*3-4H2,1-2H3;3H,1-2H3;2*1-2H3
InChIKeyFVANPIUQYOZIQM-UHFFFAOYSA-N
MW437.93 g/mol
LogP11.80
Rot. Bonds6

About butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane

butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane (PubChem CID 176918653) has the molecular formula C29H75N and a molecular weight of 437.93 g/mol. Its IUPAC name is butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane.

Molecular Properties

Compound Namebutane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane
PubChem CID176918653
Molecular FormulaC29H75N
Molecular Weight437.93 g/mol
Exact Mass437.59
IUPAC Namebutane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane
SMILESCC.CC.CCC(C)C.CCC(C)CC.CCCC.CCCC.CCCC.CNC
InChIInChI=1S/C6H14.C5H12.3C4H10.C2H7N.2C2H6/c1-4-6(3)5-2;1-4-5(2)3;3*1-3-4-2;1-3-2;2*1-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;3*3-4H2,1-2H3;3H,1-2H3;2*1-2H3
InChIKeyFVANPIUQYOZIQM-UHFFFAOYSA-N
XLogP11.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 511.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-methylpentane
CID 91147782
butane;ethane;methanol;2-methylbutane
CID 170758487
argon;butane;ethane;methane;2-methylbutane;propane
CID 157426988
butane;2,2-dimethylpropane;ethane;methane;2-methylbutane;3-methylpentane;2-methylpropane;pentane;propane
CID 161338456
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
CID 164983427
CID 164983427
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971
acetylene;ethane;3-methylpentane;propane
CID 143705259

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane?
The IUPAC name of butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane (CID 176918653) is butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane.
What is the SMILES notation for butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane?
The canonical SMILES for butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane is CC.CC.CCC(C)C.CCC(C)CC.CCCC.CCCC.CCCC.CNC.
What is the InChIKey of butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane?
The InChIKey is FVANPIUQYOZIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H12.3C4H10.C2H7N.2C2H6/c1-4-6(3)5-2;1-4-5(2)3;3*1-3-4-2;1-3-2;2*1-2/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;3*3-4H2,1-2H3;3H,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane?
butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane has a molecular weight of 437.93 g/mol, XLogP of 11.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methylbutane;N-methylmethanamine;3-methylpentane is sourced from PubChem (CID 176918653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).