(dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol

C18H35NO2 — CID 144690494

IUPAC(dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol
SMILESCCC(C)(C)OC(O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35NO2/c1-4-18(2,3)21-17(20)19(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-17,20H,4-14H2,1-3H3
InChIKeyZHWPZWPFFRTXAF-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.43
Rot. Bonds6

About (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol

(dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol (PubChem CID 144690494) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol.

Molecular Properties

Compound Name(dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol
PubChem CID144690494
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name(dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol
SMILESCCC(C)(C)OC(O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35NO2/c1-4-18(2,3)21-17(20)19(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-17,20H,4-14H2,1-3H3
InChIKeyZHWPZWPFFRTXAF-UHFFFAOYSA-N
XLogP4.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol?
The IUPAC name of (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol (CID 144690494) is (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol.
What is the SMILES notation for (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol?
The canonical SMILES for (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol is CCC(C)(C)OC(O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol?
The InChIKey is ZHWPZWPFFRTXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-18(2,3)21-17(20)19(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h15-17,20H,4-14H2,1-3H3.
What are the key properties of (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol?
(dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol has a molecular weight of 297.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dicyclohexylamino)-(2-methylbutan-2-yloxy)methanol is sourced from PubChem (CID 144690494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).