tert-butyl formate;ethane;methanamine;1-methylpiperidine

C14H34N2O2 — CID 143198708

IUPACtert-butyl formate;ethane;methanamine;1-methylpiperidine
SMILESCC.CC(C)(C)OC=O.CN.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H10O2.C2H6.CH5N/c1-7-5-3-2-4-6-7;1-5(2,3)7-4-6;2*1-2/h2-6H2,1H3;4H,1-3H3;1-2H3;2H2,1H3
InChIKeyZSHXPFQBOWSYOX-UHFFFAOYSA-N
MW262.44 g/mol
LogP2.66
Rot. Bonds1

About tert-butyl formate;ethane;methanamine;1-methylpiperidine

tert-butyl formate;ethane;methanamine;1-methylpiperidine (PubChem CID 143198708) has the molecular formula C14H34N2O2 and a molecular weight of 262.44 g/mol. Its IUPAC name is tert-butyl formate;ethane;methanamine;1-methylpiperidine.

Molecular Properties

Compound Nametert-butyl formate;ethane;methanamine;1-methylpiperidine
PubChem CID143198708
Molecular FormulaC14H34N2O2
Molecular Weight262.44 g/mol
Exact Mass262.26
IUPAC Nametert-butyl formate;ethane;methanamine;1-methylpiperidine
SMILESCC.CC(C)(C)OC=O.CN.CN1CCCCC1
InChIInChI=1S/C6H13N.C5H10O2.C2H6.CH5N/c1-7-5-3-2-4-6-7;1-5(2,3)7-4-6;2*1-2/h2-6H2,1H3;4H,1-3H3;1-2H3;2H2,1H3
InChIKeyZSHXPFQBOWSYOX-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;ethane
CID 175326717
tert-butyl formate;4-piperidin-1-ylbutan-1-amine
CID 174955961
methanamine;1-methylazepane
CID 142229560
ethane;formic acid;1-methylpiperidine
CID 142182164
2,2-dimethylpropanal;1-methylpyrrolidine
CID 142864246
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
ethane;1-methylazonane
CID 145157770
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
ethane;bis(1-methylpyrrolidine)
CID 153385238

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;ethane;methanamine;1-methylpiperidine?
The IUPAC name of tert-butyl formate;ethane;methanamine;1-methylpiperidine (CID 143198708) is tert-butyl formate;ethane;methanamine;1-methylpiperidine.
What is the SMILES notation for tert-butyl formate;ethane;methanamine;1-methylpiperidine?
The canonical SMILES for tert-butyl formate;ethane;methanamine;1-methylpiperidine is CC.CC(C)(C)OC=O.CN.CN1CCCCC1.
What is the InChIKey of tert-butyl formate;ethane;methanamine;1-methylpiperidine?
The InChIKey is ZSHXPFQBOWSYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H10O2.C2H6.CH5N/c1-7-5-3-2-4-6-7;1-5(2,3)7-4-6;2*1-2/h2-6H2,1H3;4H,1-3H3;1-2H3;2H2,1H3.
What are the key properties of tert-butyl formate;ethane;methanamine;1-methylpiperidine?
tert-butyl formate;ethane;methanamine;1-methylpiperidine has a molecular weight of 262.44 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;ethane;methanamine;1-methylpiperidine is sourced from PubChem (CID 143198708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).