tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate

C14H30N2O2 — CID 115654968

IUPACtert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
SMILESCCC(CC)(CC)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-14(8-2,9-3)16-11-10-15-12(17)18-13(4,5)6/h16H,7-11H2,1-6H3,(H,15,17)
InChIKeyVIRPWBGZSDZLMY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.07
Rot. Bonds7

About tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate

tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate (PubChem CID 115654968) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
PubChem CID115654968
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
SMILESCCC(CC)(CC)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-7-14(8-2,9-3)16-11-10-15-12(17)18-13(4,5)6/h16H,7-11H2,1-6H3,(H,15,17)
InChIKeyVIRPWBGZSDZLMY-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate (CID 115654968) is tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate is CCC(CC)(CC)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate?
The InChIKey is VIRPWBGZSDZLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-14(8-2,9-3)16-11-10-15-12(17)18-13(4,5)6/h16H,7-11H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate?
tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate has a molecular weight of 258.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate is sourced from PubChem (CID 115654968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).