3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol

C19H27NO2 — CID 82187285

IUPAC3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
SMILESC=CCN(CC=C)C1C(O)c2ccc(C)c(C)c2OC1(C)C
InChIInChI=1S/C19H27NO2/c1-7-11-20(12-8-2)18-16(21)15-10-9-13(3)14(4)17(15)22-19(18,5)6/h7-10,16,18,21H,1-2,11-12H2,3-6H3
InChIKeyJCBHYAILUASDIQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.55
Rot. Bonds5

About 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol

3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol (PubChem CID 82187285) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
PubChem CID82187285
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol
SMILESC=CCN(CC=C)C1C(O)c2ccc(C)c(C)c2OC1(C)C
InChIInChI=1S/C19H27NO2/c1-7-11-20(12-8-2)18-16(21)15-10-9-13(3)14(4)17(15)22-19(18,5)6/h7-10,16,18,21H,1-2,11-12H2,3-6H3
InChIKeyJCBHYAILUASDIQ-UHFFFAOYSA-N
XLogP3.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
The IUPAC name of 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol (CID 82187285) is 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol.
What is the SMILES notation for 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
The canonical SMILES for 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol is C=CCN(CC=C)C1C(O)c2ccc(C)c(C)c2OC1(C)C.
What is the InChIKey of 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
The InChIKey is JCBHYAILUASDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-7-11-20(12-8-2)18-16(21)15-10-9-13(3)14(4)17(15)22-19(18,5)6/h7-10,16,18,21H,1-2,11-12H2,3-6H3.
What are the key properties of 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol?
3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol has a molecular weight of 301.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)amino]-2,2,7,8-tetramethyl-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 82187285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).