ethane;methane;2-methylpropan-1-amine

C7H21N — CID 164904154

IUPACethane;methane;2-methylpropan-1-amine
SMILESC.CC.CC(C)CN
InChIInChI=1S/C4H11N.C2H6.CH4/c1-4(2)3-5;1-2;/h4H,3,5H2,1-2H3;1-2H3;1H4
InChIKeyZQYOCLCMULHTNS-UHFFFAOYSA-N
MW119.25 g/mol
LogP2.26
Rot. Bonds1

About ethane;methane;2-methylpropan-1-amine

ethane;methane;2-methylpropan-1-amine (PubChem CID 164904154) has the molecular formula C7H21N and a molecular weight of 119.25 g/mol. Its IUPAC name is ethane;methane;2-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;methane;2-methylpropan-1-amine
PubChem CID164904154
Molecular FormulaC7H21N
Molecular Weight119.25 g/mol
Exact Mass119.17
IUPAC Nameethane;methane;2-methylpropan-1-amine
SMILESC.CC.CC(C)CN
InChIInChI=1S/C4H11N.C2H6.CH4/c1-4(2)3-5;1-2;/h4H,3,5H2,1-2H3;1-2H3;1H4
InChIKeyZQYOCLCMULHTNS-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 168995641
CID 59660085
CID 59660085
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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylpropan-1-amine?
The IUPAC name of ethane;methane;2-methylpropan-1-amine (CID 164904154) is ethane;methane;2-methylpropan-1-amine.
What is the SMILES notation for ethane;methane;2-methylpropan-1-amine?
The canonical SMILES for ethane;methane;2-methylpropan-1-amine is C.CC.CC(C)CN.
What is the InChIKey of ethane;methane;2-methylpropan-1-amine?
The InChIKey is ZQYOCLCMULHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C2H6.CH4/c1-4(2)3-5;1-2;/h4H,3,5H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;2-methylpropan-1-amine?
ethane;methane;2-methylpropan-1-amine has a molecular weight of 119.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylpropan-1-amine is sourced from PubChem (CID 164904154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).