tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate

C15H28N2O3 — CID 102248472

IUPACtert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)N(CCCCCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12(2)13(18)17(11-9-7-6-8-10-16)14(19)20-15(3,4)5/h1,6-11,16H2,2-5H3
InChIKeyARNCTQNWUIRQOQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds7

About tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate

tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate (PubChem CID 102248472) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate
PubChem CID102248472
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)N(CCCCCCN)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-12(2)13(18)17(11-9-7-6-8-10-16)14(19)20-15(3,4)5/h1,6-11,16H2,2-5H3
InChIKeyARNCTQNWUIRQOQ-UHFFFAOYSA-N
XLogP2.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate?
The IUPAC name of tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate (CID 102248472) is tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate?
The canonical SMILES for tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate is C=C(C)C(=O)N(CCCCCCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate?
The InChIKey is ARNCTQNWUIRQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)13(18)17(11-9-7-6-8-10-16)14(19)20-15(3,4)5/h1,6-11,16H2,2-5H3.
What are the key properties of tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate?
tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-aminohexyl)-N-(2-methylprop-2-enoyl)carbamate is sourced from PubChem (CID 102248472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).