1-(butylamino)ethyl formate

C7H15NO2 — CID 57004590

IUPAC1-(butylamino)ethyl formate
SMILESCCCCNC(C)OC=O
InChIInChI=1S/C7H15NO2/c1-3-4-5-8-7(2)10-6-9/h6-8H,3-5H2,1-2H3
InChIKeyVXPUJYSDXSLOQY-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.90
Rot. Bonds6

About 1-(butylamino)ethyl formate

1-(butylamino)ethyl formate (PubChem CID 57004590) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(butylamino)ethyl formate.

Molecular Properties

Compound Name1-(butylamino)ethyl formate
PubChem CID57004590
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(butylamino)ethyl formate
SMILESCCCCNC(C)OC=O
InChIInChI=1S/C7H15NO2/c1-3-4-5-8-7(2)10-6-9/h6-8H,3-5H2,1-2H3
InChIKeyVXPUJYSDXSLOQY-UHFFFAOYSA-N
XLogP0.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.90
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(butylamino)ethyl formate 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

1-(2-methylnonan-2-ylamino)ethyl formate
CID 173235532
2-(butylamino)butanal
CID 54251429
N-propan-2-ylbutan-1-amine chloride
CID 19629099
bis[1-(dodecylamino)ethyl] sulfate
CID 166709194
N-butyl-3-methylpentan-2-amine
CID 43200990
1-(dodecylamino)ethyl hydrogen sulfate
CID 166709195
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
butylaminomethyl formate
CID 174618509
hydroxy-[1-(octylamino)ethoxy]-oxophosphanium
CID 88693762
1-pentoxypropan-2-yl formate
CID 54282831
3-(butylamino)propyl formate
CID 87316464
1-aminopentyl formate
CID 57047704

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)ethyl formate?
The IUPAC name of 1-(butylamino)ethyl formate (CID 57004590) is 1-(butylamino)ethyl formate.
What is the SMILES notation for 1-(butylamino)ethyl formate?
The canonical SMILES for 1-(butylamino)ethyl formate is CCCCNC(C)OC=O.
What is the InChIKey of 1-(butylamino)ethyl formate?
The InChIKey is VXPUJYSDXSLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-5-8-7(2)10-6-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(butylamino)ethyl formate?
1-(butylamino)ethyl formate has a molecular weight of 145.20 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)ethyl formate is sourced from PubChem (CID 57004590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).