azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene

C19H29NO — CID 175545455

IUPACazane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene
SMILESC=CC1=C(C(C)C)c2c(cccc2C(C)C)OC1(C)C.N
InChIInChI=1S/C19H26O.H3N/c1-8-15-17(13(4)5)18-14(12(2)3)10-9-11-16(18)20-19(15,6)7;/h8-13H,1H2,2-7H3;1H3
InChIKeyVHAKEZKIBHMELC-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.74
Rot. Bonds3

About azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene

azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene (PubChem CID 175545455) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene.

Molecular Properties

Compound Nameazane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene
PubChem CID175545455
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Nameazane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene
SMILESC=CC1=C(C(C)C)c2c(cccc2C(C)C)OC1(C)C.N
InChIInChI=1S/C19H26O.H3N/c1-8-15-17(13(4)5)18-14(12(2)3)10-9-11-16(18)20-19(15,6)7;/h8-13H,1H2,2-7H3;1H3
InChIKeyVHAKEZKIBHMELC-UHFFFAOYSA-N
XLogP5.74
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[2,6-di(propan-2-yl)phenyl]-2,5-dihydro-1H-imidazole
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1-ethenyl-3-propan-2-yl-2-propan-2-yloxybenzene
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Frequently Asked Questions

What is the IUPAC name of azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene?
The IUPAC name of azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene (CID 175545455) is azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene.
What is the SMILES notation for azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene?
The canonical SMILES for azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene is C=CC1=C(C(C)C)c2c(cccc2C(C)C)OC1(C)C.N.
What is the InChIKey of azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene?
The InChIKey is VHAKEZKIBHMELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O.H3N/c1-8-15-17(13(4)5)18-14(12(2)3)10-9-11-16(18)20-19(15,6)7;/h8-13H,1H2,2-7H3;1H3.
What are the key properties of azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene?
azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene has a molecular weight of 287.45 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethenyl-2,2-dimethyl-4,5-di(propan-2-yl)chromene is sourced from PubChem (CID 175545455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).