ethane;methyl carbamate;2-methylpentane;molecular hydrogen

C10H27NO2 — CID 143037525

IUPACethane;methyl carbamate;2-methylpentane;molecular hydrogen
SMILESCC.CCCC(C)C.COC(N)=O.[H][H]
InChIInChI=1S/C6H14.C2H5NO2.C2H6.H2/c1-4-5-6(2)3;1-5-2(3)4;1-2;/h6H,4-5H2,1-3H3;1H3,(H2,3,4);1-2H3;1H
InChIKeyBQXBNCRTAZKBHX-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.43
Rot. Bonds2

About ethane;methyl carbamate;2-methylpentane;molecular hydrogen

ethane;methyl carbamate;2-methylpentane;molecular hydrogen (PubChem CID 143037525) has the molecular formula C10H27NO2 and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;methyl carbamate;2-methylpentane;molecular hydrogen.

Molecular Properties

Compound Nameethane;methyl carbamate;2-methylpentane;molecular hydrogen
PubChem CID143037525
Molecular FormulaC10H27NO2
Molecular Weight193.33 g/mol
Exact Mass193.20
IUPAC Nameethane;methyl carbamate;2-methylpentane;molecular hydrogen
SMILESCC.CCCC(C)C.COC(N)=O.[H][H]
InChIInChI=1S/C6H14.C2H5NO2.C2H6.H2/c1-4-5-6(2)3;1-5-2(3)4;1-2;/h6H,4-5H2,1-3H3;1H3,(H2,3,4);1-2H3;1H
InChIKeyBQXBNCRTAZKBHX-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methylpentane
CID 143713716
ethyl acetate;tris(2-methylpentane)
CID 173095703
butanoic acid;2-methylpentane
CID 87252946
ethane;methane;bis(2-methylpentane)
CID 142143156
2-methylpentane
CID 7892
butanoic acid;methanol;methyl carbamate
CID 144878014
methyl (2R,3R)-3-hydroxy-2-(3-methylbutyl)hexanoate
CID 11138520
ethanamine;2-methylpentane
CID 143240474
methyl 2-(1-aminoethyl)pent-2-enoate
CID 173355161
azane;2-methylpentane
CID 18347292
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569

Frequently Asked Questions

What is the IUPAC name of ethane;methyl carbamate;2-methylpentane;molecular hydrogen?
The IUPAC name of ethane;methyl carbamate;2-methylpentane;molecular hydrogen (CID 143037525) is ethane;methyl carbamate;2-methylpentane;molecular hydrogen.
What is the SMILES notation for ethane;methyl carbamate;2-methylpentane;molecular hydrogen?
The canonical SMILES for ethane;methyl carbamate;2-methylpentane;molecular hydrogen is CC.CCCC(C)C.COC(N)=O.[H][H].
What is the InChIKey of ethane;methyl carbamate;2-methylpentane;molecular hydrogen?
The InChIKey is BQXBNCRTAZKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H5NO2.C2H6.H2/c1-4-5-6(2)3;1-5-2(3)4;1-2;/h6H,4-5H2,1-3H3;1H3,(H2,3,4);1-2H3;1H.
What are the key properties of ethane;methyl carbamate;2-methylpentane;molecular hydrogen?
ethane;methyl carbamate;2-methylpentane;molecular hydrogen has a molecular weight of 193.33 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl carbamate;2-methylpentane;molecular hydrogen is sourced from PubChem (CID 143037525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).