(2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol

C13H26N2O3 — CID 10355172

IUPAC(2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol
SMILESCC(C)(C)NCC(O)CO/N=C1\CCCCC1O
InChIInChI=1S/C13H26N2O3/c1-13(2,3)14-8-10(16)9-18-15-11-6-4-5-7-12(11)17/h10,12,14,16-17H,4-9H2,1-3H3/b15-11+
InChIKeyRLAWFXGALQJRMP-RVDMUPIBSA-N
MW258.36 g/mol
LogP1.04
Rot. Bonds5

About (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol

(2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol (PubChem CID 10355172) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol.

Molecular Properties

Compound Name(2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol
PubChem CID10355172
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol
SMILESCC(C)(C)NCC(O)CO/N=C1\CCCCC1O
InChIInChI=1S/C13H26N2O3/c1-13(2,3)14-8-10(16)9-18-15-11-6-4-5-7-12(11)17/h10,12,14,16-17H,4-9H2,1-3H3/b15-11+
InChIKeyRLAWFXGALQJRMP-RVDMUPIBSA-N
XLogP1.04
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol?
The IUPAC name of (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol (CID 10355172) is (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol.
What is the SMILES notation for (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol?
The canonical SMILES for (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol is CC(C)(C)NCC(O)CO/N=C1\CCCCC1O.
What is the InChIKey of (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol?
The InChIKey is RLAWFXGALQJRMP-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)14-8-10(16)9-18-15-11-6-4-5-7-12(11)17/h10,12,14,16-17H,4-9H2,1-3H3/b15-11+.
What are the key properties of (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol?
(2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol is sourced from PubChem (CID 10355172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).