2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol

C16H23NO — CID 118368978

IUPAC2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(C)CC(CNCC2C=CC=CC2)=C1O
InChIInChI=1S/C16H23NO/c1-12-8-13(2)16(18)15(9-12)11-17-10-14-6-4-3-5-7-14/h3-6,8,12,14,17-18H,7,9-11H2,1-2H3
InChIKeyZNRBZJUIMYOSPH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.51
Rot. Bonds4

About 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol

2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol (PubChem CID 118368978) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol
PubChem CID118368978
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol
SMILESCC1=CC(C)CC(CNCC2C=CC=CC2)=C1O
InChIInChI=1S/C16H23NO/c1-12-8-13(2)16(18)15(9-12)11-17-10-14-6-4-3-5-7-14/h3-6,8,12,14,17-18H,7,9-11H2,1-2H3
InChIKeyZNRBZJUIMYOSPH-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol (CID 118368978) is 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol is CC1=CC(C)CC(CNCC2C=CC=CC2)=C1O.
What is the InChIKey of 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
The InChIKey is ZNRBZJUIMYOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-8-13(2)16(18)15(9-12)11-17-10-14-6-4-3-5-7-14/h3-6,8,12,14,17-18H,7,9-11H2,1-2H3.
What are the key properties of 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol?
2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexa-2,4-dien-1-ylmethylamino)methyl]-4,6-dimethylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 118368978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).