(cyclobutylmethylamino) formate

C6H11NO2 — CID 174851164

IUPAC(cyclobutylmethylamino) formate
SMILESO=CONCC1CCC1
InChIInChI=1S/C6H11NO2/c8-5-9-7-4-6-2-1-3-6/h5-7H,1-4H2
InChIKeyVNMYLMSHQHSBNR-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.46
Rot. Bonds4

About (cyclobutylmethylamino) formate

(cyclobutylmethylamino) formate (PubChem CID 174851164) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (cyclobutylmethylamino) formate.

Molecular Properties

Compound Name(cyclobutylmethylamino) formate
PubChem CID174851164
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(cyclobutylmethylamino) formate
SMILESO=CONCC1CCC1
InChIInChI=1S/C6H11NO2/c8-5-9-7-4-6-2-1-3-6/h5-7H,1-4H2
InChIKeyVNMYLMSHQHSBNR-UHFFFAOYSA-N
XLogP0.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.46
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
cyclobutylmethylhydrazine;dihydrochloride
CID 56604638
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
[1-(cyclobutylmethylamino)cyclohexyl]methanol
CID 65459866
1-(cyclobutylmethylamino)propan-2-one
CID 115234815
N-(cyclobutylmethyl)ethenamine
CID 144516368
1-cyclohexyl-N-methoxymethanamine
CID 54238767
4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine
CID 115213461
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
cyclobutanamine;ethyl formate;hydrochloride
CID 174777526
1-cyclobutyl-N-(hydrazinylmethyl)methanamine
CID 115260885

Frequently Asked Questions

What is the IUPAC name of (cyclobutylmethylamino) formate?
The IUPAC name of (cyclobutylmethylamino) formate (CID 174851164) is (cyclobutylmethylamino) formate.
What is the SMILES notation for (cyclobutylmethylamino) formate?
The canonical SMILES for (cyclobutylmethylamino) formate is O=CONCC1CCC1.
What is the InChIKey of (cyclobutylmethylamino) formate?
The InChIKey is VNMYLMSHQHSBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-5-9-7-4-6-2-1-3-6/h5-7H,1-4H2.
What are the key properties of (cyclobutylmethylamino) formate?
(cyclobutylmethylamino) formate has a molecular weight of 129.16 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclobutylmethylamino) formate is sourced from PubChem (CID 174851164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).