2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine

C15H27NO2 — CID 89204302

IUPAC2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine
SMILESC=C(C[C@H]1CC(CCN)=CC(C)(C)O1)OC(C)C
InChIInChI=1S/C15H27NO2/c1-11(2)17-12(3)8-14-9-13(6-7-16)10-15(4,5)18-14/h10-11,14H,3,6-9,16H2,1-2,4-5H3/t14-/m0/s1
InChIKeyTTWWKLDVMUKGOW-AWEZNQCLSA-N
MW253.39 g/mol
LogP3.16
Rot. Bonds6

About 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine

2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine (PubChem CID 89204302) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine
PubChem CID89204302
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine
SMILESC=C(C[C@H]1CC(CCN)=CC(C)(C)O1)OC(C)C
InChIInChI=1S/C15H27NO2/c1-11(2)17-12(3)8-14-9-13(6-7-16)10-15(4,5)18-14/h10-11,14H,3,6-9,16H2,1-2,4-5H3/t14-/m0/s1
InChIKeyTTWWKLDVMUKGOW-AWEZNQCLSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine?
The IUPAC name of 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine (CID 89204302) is 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine?
The canonical SMILES for 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine is C=C(C[C@H]1CC(CCN)=CC(C)(C)O1)OC(C)C.
What is the InChIKey of 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine?
The InChIKey is TTWWKLDVMUKGOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(2)17-12(3)8-14-9-13(6-7-16)10-15(4,5)18-14/h10-11,14H,3,6-9,16H2,1-2,4-5H3/t14-/m0/s1.
What are the key properties of 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine?
2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6,6-dimethyl-2-(2-propan-2-yloxyprop-2-enyl)-2,3-dihydropyran-4-yl]ethanamine is sourced from PubChem (CID 89204302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).