tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate

C15H28N2O3 — CID 130444768

IUPACtert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate
SMILESC=CCOC(=C)C(N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-11-19-12(2)13(16)9-7-8-10-17-14(18)20-15(3,4)5/h6,13H,1-2,7-11,16H2,3-5H3,(H,17,18)
InChIKeyHNWRQCUCRWPIDA-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.72
Rot. Bonds9

About tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate

tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate (PubChem CID 130444768) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate
PubChem CID130444768
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate
SMILESC=CCOC(=C)C(N)CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-11-19-12(2)13(16)9-7-8-10-17-14(18)20-15(3,4)5/h6,13H,1-2,7-11,16H2,3-5H3,(H,17,18)
InChIKeyHNWRQCUCRWPIDA-UHFFFAOYSA-N
XLogP2.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate (CID 130444768) is tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate is C=CCOC(=C)C(N)CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate?
The InChIKey is HNWRQCUCRWPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-11-19-12(2)13(16)9-7-8-10-17-14(18)20-15(3,4)5/h6,13H,1-2,7-11,16H2,3-5H3,(H,17,18).
What are the key properties of tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate?
tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-6-prop-2-enoxyhept-6-enyl)carbamate is sourced from PubChem (CID 130444768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).