1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol

C15H32N2O2 — CID 142098772

IUPAC1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol
SMILESC=CCON(C(C)(C)C)C(C)(C)C(O)NC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-10-11-19-17(14(5,6)7)15(8,9)12(18)16-13(2,3)4/h10,12,16,18H,1,11H2,2-9H3
InChIKeyJAYSCHUQJDGCGP-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.69
Rot. Bonds6

About 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol

1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol (PubChem CID 142098772) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol
PubChem CID142098772
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol
SMILESC=CCON(C(C)(C)C)C(C)(C)C(O)NC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-10-11-19-17(14(5,6)7)15(8,9)12(18)16-13(2,3)4/h10,12,16,18H,1,11H2,2-9H3
InChIKeyJAYSCHUQJDGCGP-UHFFFAOYSA-N
XLogP2.69
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol?
The IUPAC name of 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol (CID 142098772) is 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol?
The canonical SMILES for 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol is C=CCON(C(C)(C)C)C(C)(C)C(O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol?
The InChIKey is JAYSCHUQJDGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-10-11-19-17(14(5,6)7)15(8,9)12(18)16-13(2,3)4/h10,12,16,18H,1,11H2,2-9H3.
What are the key properties of 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol?
1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-[tert-butyl(prop-2-enoxy)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 142098772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).