tert-butyl N-(octylamino)carbamate

C13H28N2O2 — CID 107237086

IUPACtert-butyl N-(octylamino)carbamate
SMILESCCCCCCCCNNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-8-9-10-11-14-15-12(16)17-13(2,3)4/h14H,5-11H2,1-4H3,(H,15,16)
InChIKeyNYKTWWZNRBDZMC-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.38
Rot. Bonds8

About tert-butyl N-(octylamino)carbamate

tert-butyl N-(octylamino)carbamate (PubChem CID 107237086) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-(octylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(octylamino)carbamate
PubChem CID107237086
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-(octylamino)carbamate
SMILESCCCCCCCCNNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-7-8-9-10-11-14-15-12(16)17-13(2,3)4/h14H,5-11H2,1-4H3,(H,15,16)
InChIKeyNYKTWWZNRBDZMC-UHFFFAOYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.38
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-(hexylamino)carbamate
CID 141204686
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-(4-methylsulfanylbutylamino)carbamate
CID 107237275
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-[1-(heptylamino)-2-methylpropan-2-yl]carbamate
CID 107250019
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[4-(hexylamino)butyl]carbamate;2,2,2-trifluoroacetaldehyde
CID 160758432
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-[3-(dodecylamino)-2,2-dimethyl-3-oxopropyl]carbamate
CID 135363819
dodecanoyl 12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoate
CID 88506811

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(octylamino)carbamate?
The IUPAC name of tert-butyl N-(octylamino)carbamate (CID 107237086) is tert-butyl N-(octylamino)carbamate.
What is the SMILES notation for tert-butyl N-(octylamino)carbamate?
The canonical SMILES for tert-butyl N-(octylamino)carbamate is CCCCCCCCNNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(octylamino)carbamate?
The InChIKey is NYKTWWZNRBDZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-7-8-9-10-11-14-15-12(16)17-13(2,3)4/h14H,5-11H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(octylamino)carbamate?
tert-butyl N-(octylamino)carbamate has a molecular weight of 244.38 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(octylamino)carbamate is sourced from PubChem (CID 107237086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).