(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol

C17H31NO — CID 70435113

IUPAC(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/C(O)N(C)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)9-8-10-15(3)13-17(19)18(4)16-11-6-5-7-12-16/h9,13,16-17,19H,5-8,10-12H2,1-4H3/b15-13+
InChIKeyPXDZDWXGIRJMOD-FYWRMAATSA-N
MW265.44 g/mol
LogP4.26
Rot. Bonds6

About (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol

(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol (PubChem CID 70435113) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol
PubChem CID70435113
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/C(O)N(C)C1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)9-8-10-15(3)13-17(19)18(4)16-11-6-5-7-12-16/h9,13,16-17,19H,5-8,10-12H2,1-4H3/b15-13+
InChIKeyPXDZDWXGIRJMOD-FYWRMAATSA-N
XLogP4.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol (CID 70435113) is (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol is CC(C)=CCC/C(C)=C/C(O)N(C)C1CCCCC1.
What is the InChIKey of (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol?
The InChIKey is PXDZDWXGIRJMOD-FYWRMAATSA-N. The full InChI is InChI=1S/C17H31NO/c1-14(2)9-8-10-15(3)13-17(19)18(4)16-11-6-5-7-12-16/h9,13,16-17,19H,5-8,10-12H2,1-4H3/b15-13+.
What are the key properties of (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol?
(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol has a molecular weight of 265.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 70435113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).