methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine

C14H32N2O — CID 167567931

IUPACmethane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine
SMILESC.CC(C)=O.CC(C)C#N.CC(C)CN(C)C
InChIInChI=1S/C6H15N.C4H7N.C3H6O.CH4/c1-6(2)5-7(3)4;1-4(2)3-5;1-3(2)4;/h6H,5H2,1-4H3;4H,1-2H3;1-2H3;1H4
InChIKeyFNHROJLJOMOCIV-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.60
Rot. Bonds2

About methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine

methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine (PubChem CID 167567931) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Namemethane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine
PubChem CID167567931
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Namemethane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine
SMILESC.CC(C)=O.CC(C)C#N.CC(C)CN(C)C
InChIInChI=1S/C6H15N.C4H7N.C3H6O.CH4/c1-6(2)5-7(3)4;1-4(2)3-5;1-3(2)4;/h6H,5H2,1-4H3;4H,1-2H3;1-2H3;1H4
InChIKeyFNHROJLJOMOCIV-UHFFFAOYSA-N
XLogP3.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine?
The IUPAC name of methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine (CID 167567931) is methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine is C.CC(C)=O.CC(C)C#N.CC(C)CN(C)C.
What is the InChIKey of methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine?
The InChIKey is FNHROJLJOMOCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H7N.C3H6O.CH4/c1-6(2)5-7(3)4;1-4(2)3-5;1-3(2)4;/h6H,5H2,1-4H3;4H,1-2H3;1-2H3;1H4.
What are the key properties of methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine?
methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine has a molecular weight of 244.42 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropanenitrile;propan-2-one;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 167567931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).