N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine

C11H21NO2 — CID 71583350

IUPACN,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
SMILESC=C(C)COC(OCC(=C)C)N(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)7-13-11(12(5)6)14-8-10(3)4/h11H,1,3,7-8H2,2,4-6H3
InChIKeyZJQNKHCKJYZRMB-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds7

About N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine

N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine (PubChem CID 71583350) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
PubChem CID71583350
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine
SMILESC=C(C)COC(OCC(=C)C)N(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)7-13-11(12(5)6)14-8-10(3)4/h11H,1,3,7-8H2,2,4-6H3
InChIKeyZJQNKHCKJYZRMB-UHFFFAOYSA-N
XLogP2.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine?
The IUPAC name of N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine (CID 71583350) is N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine.
What is the SMILES notation for N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine?
The canonical SMILES for N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine is C=C(C)COC(OCC(=C)C)N(C)C.
What is the InChIKey of N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine?
The InChIKey is ZJQNKHCKJYZRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)7-13-11(12(5)6)14-8-10(3)4/h11H,1,3,7-8H2,2,4-6H3.
What are the key properties of N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine?
N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine has a molecular weight of 199.29 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,1-bis(2-methylprop-2-enoxy)methanamine is sourced from PubChem (CID 71583350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).