[ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol

C20H35NO — CID 130216695

IUPAC[ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol
SMILESCCCC(CC)C1=C(C)C=C(C)C(C(O)N(C)CC)C(C)=C1
InChIInChI=1S/C20H35NO/c1-8-11-17(9-2)18-13-16(6)19(15(5)12-14(18)4)20(22)21(7)10-3/h12-13,17,19-20,22H,8-11H2,1-7H3
InChIKeyCLVAXNBJKIDTTN-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.92
Rot. Bonds7

About [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol

[ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol (PubChem CID 130216695) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol.

Molecular Properties

Compound Name[ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol
PubChem CID130216695
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name[ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol
SMILESCCCC(CC)C1=C(C)C=C(C)C(C(O)N(C)CC)C(C)=C1
InChIInChI=1S/C20H35NO/c1-8-11-17(9-2)18-13-16(6)19(15(5)12-14(18)4)20(22)21(7)10-3/h12-13,17,19-20,22H,8-11H2,1-7H3
InChIKeyCLVAXNBJKIDTTN-UHFFFAOYSA-N
XLogP4.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol?
The IUPAC name of [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol (CID 130216695) is [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol.
What is the SMILES notation for [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol?
The canonical SMILES for [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol is CCCC(CC)C1=C(C)C=C(C)C(C(O)N(C)CC)C(C)=C1.
What is the InChIKey of [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol?
The InChIKey is CLVAXNBJKIDTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO/c1-8-11-17(9-2)18-13-16(6)19(15(5)12-14(18)4)20(22)21(7)10-3/h12-13,17,19-20,22H,8-11H2,1-7H3.
What are the key properties of [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol?
[ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol has a molecular weight of 305.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)amino]-(4-hexan-3-yl-2,5,7-trimethylcyclohepta-2,4,6-trien-1-yl)methanol is sourced from PubChem (CID 130216695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).