2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine

C12H23NO — CID 83032816

IUPAC2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine
SMILESC=C(CC)CNC1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-5-10(2)9-13-11-6-7-14-12(3,4)8-11/h11,13H,2,5-9H2,1,3-4H3
InChIKeyZQLITZKTRCPZTB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds4

About 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine

2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine (PubChem CID 83032816) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine
PubChem CID83032816
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine
SMILESC=C(CC)CNC1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO/c1-5-10(2)9-13-11-6-7-14-12(3,4)8-11/h11,13H,2,5-9H2,1,3-4H3
InChIKeyZQLITZKTRCPZTB-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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-methylidenebutyl)oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine (CID 83032816) is 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine is C=C(CC)CNC1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine?
The InChIKey is ZQLITZKTRCPZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-10(2)9-13-11-6-7-14-12(3,4)8-11/h11,13H,2,5-9H2,1,3-4H3.
What are the key properties of 2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine?
2,2-dimethyl-N-(2-methylidenebutyl)oxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 4 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-methylidenebutyl)oxan-4-amine is sourced from PubChem (CID 83032816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).