aminomethyl N-butylcarbamate

C6H14N2O2 — CID 139491046

IUPACaminomethyl N-butylcarbamate
SMILESCCCCNC(=O)OCN
InChIInChI=1S/C6H14N2O2/c1-2-3-4-8-6(9)10-5-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyIXJIFCJCHRPFKT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.43
Rot. Bonds4

About aminomethyl N-butylcarbamate

aminomethyl N-butylcarbamate (PubChem CID 139491046) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is aminomethyl N-butylcarbamate.

Molecular Properties

Compound Nameaminomethyl N-butylcarbamate
PubChem CID139491046
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameaminomethyl N-butylcarbamate
SMILESCCCCNC(=O)OCN
InChIInChI=1S/C6H14N2O2/c1-2-3-4-8-6(9)10-5-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyIXJIFCJCHRPFKT-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

butyl N-butylcarbamate;molecular hydrogen
CID 142164887
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
2-iodopropyl N-butylcarbamate
CID 175153431
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
phosphanyl N-butylcarbamate
CID 89204581
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545

Frequently Asked Questions

What is the IUPAC name of aminomethyl N-butylcarbamate?
The IUPAC name of aminomethyl N-butylcarbamate (CID 139491046) is aminomethyl N-butylcarbamate.
What is the SMILES notation for aminomethyl N-butylcarbamate?
The canonical SMILES for aminomethyl N-butylcarbamate is CCCCNC(=O)OCN.
What is the InChIKey of aminomethyl N-butylcarbamate?
The InChIKey is IXJIFCJCHRPFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-3-4-8-6(9)10-5-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of aminomethyl N-butylcarbamate?
aminomethyl N-butylcarbamate has a molecular weight of 146.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl N-butylcarbamate is sourced from PubChem (CID 139491046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).