[[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol

C25H37NO — CID 154936638

IUPAC[[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol
SMILESCC1=CC=CC(C(O)NC2C=CC(C)(C3(C)C=CC(C)CC3)CC2C)C=C1
InChIInChI=1S/C25H37NO/c1-18-7-6-8-21(10-9-18)23(27)26-22-13-16-25(5,17-20(22)3)24(4)14-11-19(2)12-15-24/h6-11,13-14,16,19-23,26-27H,12,15,17H2,1-5H3
InChIKeyNZBLAKMHNUQFTF-UHFFFAOYSA-N
MW367.58 g/mol
LogP5.55
Rot. Bonds4

About [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol

[[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol (PubChem CID 154936638) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol.

Molecular Properties

Compound Name[[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol
PubChem CID154936638
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name[[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol
SMILESCC1=CC=CC(C(O)NC2C=CC(C)(C3(C)C=CC(C)CC3)CC2C)C=C1
InChIInChI=1S/C25H37NO/c1-18-7-6-8-21(10-9-18)23(27)26-22-13-16-25(5,17-20(22)3)24(4)14-11-19(2)12-15-24/h6-11,13-14,16,19-23,26-27H,12,15,17H2,1-5H3
InChIKeyNZBLAKMHNUQFTF-UHFFFAOYSA-N
XLogP5.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol?
The IUPAC name of [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol (CID 154936638) is [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol.
What is the SMILES notation for [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol?
The canonical SMILES for [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol is CC1=CC=CC(C(O)NC2C=CC(C)(C3(C)C=CC(C)CC3)CC2C)C=C1.
What is the InChIKey of [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol?
The InChIKey is NZBLAKMHNUQFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO/c1-18-7-6-8-21(10-9-18)23(27)26-22-13-16-25(5,17-20(22)3)24(4)14-11-19(2)12-15-24/h6-11,13-14,16,19-23,26-27H,12,15,17H2,1-5H3.
What are the key properties of [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol?
[[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol has a molecular weight of 367.58 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(1,4-dimethylcyclohex-2-en-1-yl)-4,6-dimethylcyclohex-2-en-1-yl]amino]-(4-methylcyclohepta-2,4,6-trien-1-yl)methanol is sourced from PubChem (CID 154936638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).