tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate

C14H29N3O3 — CID 102730522

IUPACtert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate
SMILESC=C(C)COCCNC(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O3/c1-11(2)10-19-7-6-16-12(8-15)9-17-13(18)20-14(3,4)5/h12,16H,1,6-10,15H2,2-5H3,(H,17,18)
InChIKeyLCZIYXKYCXVSSE-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.02
Rot. Bonds9

About tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate

tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate (PubChem CID 102730522) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate
PubChem CID102730522
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Nametert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate
SMILESC=C(C)COCCNC(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H29N3O3/c1-11(2)10-19-7-6-16-12(8-15)9-17-13(18)20-14(3,4)5/h12,16H,1,6-10,15H2,2-5H3,(H,17,18)
InChIKeyLCZIYXKYCXVSSE-UHFFFAOYSA-N
XLogP1.02
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate (CID 102730522) is tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate is C=C(C)COCCNC(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate?
The InChIKey is LCZIYXKYCXVSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-11(2)10-19-7-6-16-12(8-15)9-17-13(18)20-14(3,4)5/h12,16H,1,6-10,15H2,2-5H3,(H,17,18).
What are the key properties of tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate?
tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate has a molecular weight of 287.40 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-[2-(2-methylprop-2-enoxy)ethylamino]propyl]carbamate is sourced from PubChem (CID 102730522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).