butylaminomethyl formate

C6H13NO2 — CID 174618509

IUPACbutylaminomethyl formate
SMILESCCCCNCOC=O
InChIInChI=1S/C6H13NO2/c1-2-3-4-7-5-9-6-8/h6-7H,2-5H2,1H3
InChIKeyNQVCUIWIHLCJEH-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.51
Rot. Bonds6

About butylaminomethyl formate

butylaminomethyl formate (PubChem CID 174618509) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is butylaminomethyl formate.

Molecular Properties

Compound Namebutylaminomethyl formate
PubChem CID174618509
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namebutylaminomethyl formate
SMILESCCCCNCOC=O
InChIInChI=1S/C6H13NO2/c1-2-3-4-7-5-9-6-8/h6-7H,2-5H2,1H3
InChIKeyNQVCUIWIHLCJEH-UHFFFAOYSA-N
XLogP0.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.51
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'}

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Related Compounds

3-(butylamino)propyl formate
CID 87316464
ethyl formate;heptane
CID 159019275
N-butylbutan-1-amine;hydrochloride
CID 3083954
[3-(butylamino)-3-oxopropyl] formate
CID 57094792
N-butylbutan-1-amine;propan-1-ol
CID 174657089
butylaminomethoxyboronic acid
CID 175525808
hexacosyl formate
CID 87446465
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-(propoxymethyl)-3-silylpropan-1-amine
CID 173400657
butylaminomethanol;propane
CID 169245417
benzene;ethyl formate;hexane
CID 174516093
potassium;hydride;pentyl formate
CID 173073840

Frequently Asked Questions

What is the IUPAC name of butylaminomethyl formate?
The IUPAC name of butylaminomethyl formate (CID 174618509) is butylaminomethyl formate.
What is the SMILES notation for butylaminomethyl formate?
The canonical SMILES for butylaminomethyl formate is CCCCNCOC=O.
What is the InChIKey of butylaminomethyl formate?
The InChIKey is NQVCUIWIHLCJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-7-5-9-6-8/h6-7H,2-5H2,1H3.
What are the key properties of butylaminomethyl formate?
butylaminomethyl formate has a molecular weight of 131.18 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylaminomethyl formate is sourced from PubChem (CID 174618509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).