tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate

C15H30N2O3 — CID 103391007

IUPACtert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate
SMILESC=CC(C)NC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C15H30N2O3/c1-7-12(2)17-13(11-19-6)9-8-10-16-14(18)20-15(3,4)5/h7,12-13,17H,1,8-11H2,2-6H3,(H,16,18)
InChIKeyWYNQLPUHUVDONA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.47
Rot. Bonds9

About tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate (PubChem CID 103391007) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate
PubChem CID103391007
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate
SMILESC=CC(C)NC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C15H30N2O3/c1-7-12(2)17-13(11-19-6)9-8-10-16-14(18)20-15(3,4)5/h7,12-13,17H,1,8-11H2,2-6H3,(H,16,18)
InChIKeyWYNQLPUHUVDONA-UHFFFAOYSA-N
XLogP2.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate (CID 103391007) is tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate is C=CC(C)NC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate?
The InChIKey is WYNQLPUHUVDONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-7-12(2)17-13(11-19-6)9-8-10-16-14(18)20-15(3,4)5/h7,12-13,17H,1,8-11H2,2-6H3,(H,16,18).
What are the key properties of tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(but-3-en-2-ylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103391007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).