tert-butyl formate;ethane;N-methylpentan-1-amine

C13H31NO2 — CID 142042302

IUPACtert-butyl formate;ethane;N-methylpentan-1-amine
SMILESCC.CC(C)(C)OC=O.CCCCCNC
InChIInChI=1S/C6H15N.C5H10O2.C2H6/c1-3-4-5-6-7-2;1-5(2,3)7-4-6;1-2/h7H,3-6H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyNUAQCOJMXFNVGA-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.38
Rot. Bonds5

About tert-butyl formate;ethane;N-methylpentan-1-amine

tert-butyl formate;ethane;N-methylpentan-1-amine (PubChem CID 142042302) has the molecular formula C13H31NO2 and a molecular weight of 233.40 g/mol. Its IUPAC name is tert-butyl formate;ethane;N-methylpentan-1-amine.

Molecular Properties

Compound Nametert-butyl formate;ethane;N-methylpentan-1-amine
PubChem CID142042302
Molecular FormulaC13H31NO2
Molecular Weight233.40 g/mol
Exact Mass233.24
IUPAC Nametert-butyl formate;ethane;N-methylpentan-1-amine
SMILESCC.CC(C)(C)OC=O.CCCCCNC
InChIInChI=1S/C6H15N.C5H10O2.C2H6/c1-3-4-5-6-7-2;1-5(2,3)7-4-6;1-2/h7H,3-6H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyNUAQCOJMXFNVGA-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl formate;ethane;2-methoxy-N-methylethanamine
CID 144580740
ethane;N-methylnonan-1-amine;2-methylpropanal
CID 166555582
tert-butyl formate;hexylcyclopropane
CID 174391270
N-methyltriacontan-1-amine
CID 19840895
tert-butyl formate;methyl 3-(methylamino)propanoate
CID 178136368
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
ethane;N-methylbutan-1-amine;propane
CID 142092371
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
N-methylpentan-1-amine;phosphoric acid
CID 175529105
tert-butyl formate;ethane;ethenoxyethane;5-(methylamino)pentanal;N-methyl-1,3-bis(prop-2-ynoxy)propan-2-amine
CID 144780149

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;ethane;N-methylpentan-1-amine?
The IUPAC name of tert-butyl formate;ethane;N-methylpentan-1-amine (CID 142042302) is tert-butyl formate;ethane;N-methylpentan-1-amine.
What is the SMILES notation for tert-butyl formate;ethane;N-methylpentan-1-amine?
The canonical SMILES for tert-butyl formate;ethane;N-methylpentan-1-amine is CC.CC(C)(C)OC=O.CCCCCNC.
What is the InChIKey of tert-butyl formate;ethane;N-methylpentan-1-amine?
The InChIKey is NUAQCOJMXFNVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C5H10O2.C2H6/c1-3-4-5-6-7-2;1-5(2,3)7-4-6;1-2/h7H,3-6H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of tert-butyl formate;ethane;N-methylpentan-1-amine?
tert-butyl formate;ethane;N-methylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;ethane;N-methylpentan-1-amine is sourced from PubChem (CID 142042302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).