tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate

C15H32N2O3 — CID 103389692

IUPACtert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
SMILESCC(C)CCOCCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-12(2)7-9-19-10-8-16-13(3)11-17-14(18)20-15(4,5)6/h12-13,16H,7-11H2,1-6H3,(H,17,18)
InChIKeyCLSFIQBCZAOLKG-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.55
Rot. Bonds9

About tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate

tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate (PubChem CID 103389692) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
PubChem CID103389692
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nametert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
SMILESCC(C)CCOCCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-12(2)7-9-19-10-8-16-13(3)11-17-14(18)20-15(4,5)6/h12-13,16H,7-11H2,1-6H3,(H,17,18)
InChIKeyCLSFIQBCZAOLKG-UHFFFAOYSA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.55
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-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588
tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[3-[[N'-methyl-N-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate (CID 103389692) is tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate is CC(C)CCOCCNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate?
The InChIKey is CLSFIQBCZAOLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-12(2)7-9-19-10-8-16-13(3)11-17-14(18)20-15(4,5)6/h12-13,16H,7-11H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate?
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate has a molecular weight of 288.43 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate is sourced from PubChem (CID 103389692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).