amino N-pentylcarbamate

C6H14N2O2 — CID 87397923

IUPACamino N-pentylcarbamate
SMILESCCCCCNC(=O)ON
InChIInChI=1S/C6H14N2O2/c1-2-3-4-5-8-6(9)10-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyLFGFSBAEHRXRAA-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds4

About amino N-pentylcarbamate

amino N-pentylcarbamate (PubChem CID 87397923) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is amino N-pentylcarbamate.

Molecular Properties

Compound Nameamino N-pentylcarbamate
PubChem CID87397923
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameamino N-pentylcarbamate
SMILESCCCCCNC(=O)ON
InChIInChI=1S/C6H14N2O2/c1-2-3-4-5-8-6(9)10-7/h2-5,7H2,1H3,(H,8,9)
InChIKeyLFGFSBAEHRXRAA-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-nonylcarbamate
CID 5102101
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
amino N-(6-aminohexyl)carbamate
CID 174870719
nonylcarbamoperoxoic acid
CID 140999734
chloromethyl N-decylcarbamate
CID 177224854
azane;octyl N-octylcarbamate
CID 175531380
2-hydroxyethyl N-heptylcarbamate
CID 124705283

Frequently Asked Questions

What is the IUPAC name of amino N-pentylcarbamate?
The IUPAC name of amino N-pentylcarbamate (CID 87397923) is amino N-pentylcarbamate.
What is the SMILES notation for amino N-pentylcarbamate?
The canonical SMILES for amino N-pentylcarbamate is CCCCCNC(=O)ON.
What is the InChIKey of amino N-pentylcarbamate?
The InChIKey is LFGFSBAEHRXRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-3-4-5-8-6(9)10-7/h2-5,7H2,1H3,(H,8,9).
What are the key properties of amino N-pentylcarbamate?
amino N-pentylcarbamate has a molecular weight of 146.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-pentylcarbamate is sourced from PubChem (CID 87397923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).