2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine

C12H23NO — CID 103522641

IUPAC2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine
SMILESCC(C)=CCNC1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO/c1-9(2)5-6-13-12-7-10(3)14-11(4)8-12/h5,10-13H,6-8H2,1-4H3
InChIKeyVFPOPNMTZSHOFM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds3

About 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine

2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine (PubChem CID 103522641) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine
PubChem CID103522641
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine
SMILESCC(C)=CCNC1CC(C)OC(C)C1
InChIInChI=1S/C12H23NO/c1-9(2)5-6-13-12-7-10(3)14-11(4)8-12/h5,10-13H,6-8H2,1-4H3
InChIKeyVFPOPNMTZSHOFM-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine
CID 177317217
1-(3-methylbut-2-enyl)-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 54917218
N-(2-methylprop-2-en-1-yl)oxan-4-amine
CID 62331163
N-[2-(cyclohexen-1-yl)ethyl]-2-methyloxan-4-amine
CID 64100546
N-prop-2-enyl-2-propyloxan-4-amine
CID 64106303
2,2-dimethyl-N-prop-2-enyloxan-4-amine
CID 64106498
2-ethyl-N-prop-2-enyloxan-4-amine
CID 64106499
2-methyl-N-prop-2-enyloxan-4-amine
CID 64106500
2-propan-2-yl-N-prop-2-enyloxan-4-amine
CID 64106501
2,6-dimethyl-N-prop-2-enyloxan-4-amine
CID 81850354
N-[2-(cyclohexen-1-yl)ethyl]-2,6-dimethyloxan-4-amine
CID 81851018
2,2-dimethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 83033823

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine (CID 103522641) is 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine is CC(C)=CCNC1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine?
The InChIKey is VFPOPNMTZSHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)5-6-13-12-7-10(3)14-11(4)8-12/h5,10-13H,6-8H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine?
2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine is sourced from PubChem (CID 103522641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).