2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine

C11H21NO — CID 83033823

IUPAC2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine
SMILESC=C(C)CNC1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO/c1-9(2)8-12-10-5-6-13-11(3,4)7-10/h10,12H,1,5-8H2,2-4H3
InChIKeyHOWRCKPJASJKMQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds3

About 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine

2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine (PubChem CID 83033823) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine
PubChem CID83033823
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine
SMILESC=C(C)CNC1CCOC(C)(C)C1
InChIInChI=1S/C11H21NO/c1-9(2)8-12-10-5-6-13-11(3,4)7-10/h10,12H,1,5-8H2,2-4H3
InChIKeyHOWRCKPJASJKMQ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine (CID 83033823) is 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine is C=C(C)CNC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
The InChIKey is HOWRCKPJASJKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)8-12-10-5-6-13-11(3,4)7-10/h10,12H,1,5-8H2,2-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine?
2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine is sourced from PubChem (CID 83033823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).