tert-butyl formate;methanamine;4-methoxybutan-2-one

C11H25NO4 — CID 163253755

IUPACtert-butyl formate;methanamine;4-methoxybutan-2-one
SMILESCC(C)(C)OC=O.CN.COCCC(C)=O
InChIInChI=1S/2C5H10O2.CH5N/c1-5(2,3)7-4-6;1-5(6)3-4-7-2;1-2/h4H,1-3H3;3-4H2,1-2H3;2H2,1H3
InChIKeyBZPMYCSYJZIRMO-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.14
Rot. Bonds4

About tert-butyl formate;methanamine;4-methoxybutan-2-one

tert-butyl formate;methanamine;4-methoxybutan-2-one (PubChem CID 163253755) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is tert-butyl formate;methanamine;4-methoxybutan-2-one.

Molecular Properties

Compound Nametert-butyl formate;methanamine;4-methoxybutan-2-one
PubChem CID163253755
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Nametert-butyl formate;methanamine;4-methoxybutan-2-one
SMILESCC(C)(C)OC=O.CN.COCCC(C)=O
InChIInChI=1S/2C5H10O2.CH5N/c1-5(2,3)7-4-6;1-5(6)3-4-7-2;1-2/h4H,1-3H3;3-4H2,1-2H3;2H2,1H3
InChIKeyBZPMYCSYJZIRMO-UHFFFAOYSA-N
XLogP1.14
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl formate;methanamine;4-methoxybutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl formate;1,2-dimethoxyethane
CID 174865662
tert-butyl formate;ethane;2-methoxy-N-methylethanamine
CID 144580740
tert-butyl formate;ethane
CID 175326717
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
tert-butyl formate;methyl 3-(methylamino)propanoate
CID 178136368
(2S)-2-aminopropanoic acid;tert-butyl formate;ethane
CID 143475350
tert-butyl formate;cyclononane
CID 174460222
3-methoxypropanamide;3-oxopropyl acetate
CID 87408410
tert-butyl formate;carbamic acid;piperazine
CID 174978332
3-[2-[(3-amino-3-oxopropoxy)methyl]-2-methyl-3-(3-oxobutoxy)propoxy]propanamide
CID 167044215
2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
CID 173476509

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;methanamine;4-methoxybutan-2-one?
The IUPAC name of tert-butyl formate;methanamine;4-methoxybutan-2-one (CID 163253755) is tert-butyl formate;methanamine;4-methoxybutan-2-one.
What is the SMILES notation for tert-butyl formate;methanamine;4-methoxybutan-2-one?
The canonical SMILES for tert-butyl formate;methanamine;4-methoxybutan-2-one is CC(C)(C)OC=O.CN.COCCC(C)=O.
What is the InChIKey of tert-butyl formate;methanamine;4-methoxybutan-2-one?
The InChIKey is BZPMYCSYJZIRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O2.CH5N/c1-5(2,3)7-4-6;1-5(6)3-4-7-2;1-2/h4H,1-3H3;3-4H2,1-2H3;2H2,1H3.
What are the key properties of tert-butyl formate;methanamine;4-methoxybutan-2-one?
tert-butyl formate;methanamine;4-methoxybutan-2-one has a molecular weight of 235.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;methanamine;4-methoxybutan-2-one is sourced from PubChem (CID 163253755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).