tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate

C15H30N2O3 — CID 83032600

IUPACtert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CCOC(C)(C)C1
InChIInChI=1S/C15H30N2O3/c1-14(2,3)20-13(18)17-9-6-8-16-12-7-10-19-15(4,5)11-12/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyPWIOWAPFGSDBHZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.45
Rot. Bonds5

About tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate

tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate (PubChem CID 83032600) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
PubChem CID83032600
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CCOC(C)(C)C1
InChIInChI=1S/C15H30N2O3/c1-14(2,3)20-13(18)17-9-6-8-16-12-7-10-19-15(4,5)11-12/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyPWIOWAPFGSDBHZ-UHFFFAOYSA-N
XLogP2.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[(2,2-dimethyloxan-4-yl)amino]butan-2-yl]carbamate
CID 107247031
2,2-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxan-4-amine
CID 112589376
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate
CID 115976671
tert-butyl 3-[2-[(2,2-dimethyloxan-4-yl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107249108
tert-butyl N-[2-(oxan-4-ylamino)ethyl]carbamate
CID 58117128
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 83033160
tert-butyl N-[2-(2-oxaspiro[3.3]heptan-6-ylamino)ethyl]carbamate
CID 170628776

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate (CID 83032600) is tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNC1CCOC(C)(C)C1.
What is the InChIKey of tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate?
The InChIKey is PWIOWAPFGSDBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-14(2,3)20-13(18)17-9-6-8-16-12-7-10-19-15(4,5)11-12/h12,16H,6-11H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 83032600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).