1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol

C13H26N2O2 — CID 12606702

IUPAC1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CON=C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-9-12(16)10-17-15-11-7-5-4-6-8-11/h12,14,16H,4-10H2,1-3H3
InChIKeySMKAHGIEJDHHFH-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.07
Rot. Bonds5

About 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol

1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol (PubChem CID 12606702) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol
PubChem CID12606702
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CON=C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)14-9-12(16)10-17-15-11-7-5-4-6-8-11/h12,14,16H,4-10H2,1-3H3
InChIKeySMKAHGIEJDHHFH-UHFFFAOYSA-N
XLogP2.07
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol (CID 12606702) is 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol is CC(C)(C)NCC(O)CON=C1CCCCC1.
What is the InChIKey of 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol?
The InChIKey is SMKAHGIEJDHHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)14-9-12(16)10-17-15-11-7-5-4-6-8-11/h12,14,16H,4-10H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol?
1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(cyclohexylideneamino)oxypropan-2-ol is sourced from PubChem (CID 12606702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).