(1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol

C13H30N2O2 — CID 143602754

IUPAC(1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol
SMILESCCONC(C)(C)CC(CC(C)C)N[C@@H](C)O
InChIInChI=1S/C13H30N2O2/c1-7-17-15-13(5,6)9-12(8-10(2)3)14-11(4)16/h10-12,14-16H,7-9H2,1-6H3/t11-,12?/m1/s1
InChIKeyZTBLRBOSJRVONC-JHJMLUEUSA-N
MW246.39 g/mol
LogP2.04
Rot. Bonds9

About (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol

(1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol (PubChem CID 143602754) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol
PubChem CID143602754
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name(1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol
SMILESCCONC(C)(C)CC(CC(C)C)N[C@@H](C)O
InChIInChI=1S/C13H30N2O2/c1-7-17-15-13(5,6)9-12(8-10(2)3)14-11(4)16/h10-12,14-16H,7-9H2,1-6H3/t11-,12?/m1/s1
InChIKeyZTBLRBOSJRVONC-JHJMLUEUSA-N
XLogP2.04
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol?
The IUPAC name of (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol (CID 143602754) is (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol?
The canonical SMILES for (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol is CCONC(C)(C)CC(CC(C)C)N[C@@H](C)O.
What is the InChIKey of (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol?
The InChIKey is ZTBLRBOSJRVONC-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-7-17-15-13(5,6)9-12(8-10(2)3)14-11(4)16/h10-12,14-16H,7-9H2,1-6H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol?
(1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol has a molecular weight of 246.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[2-(ethoxyamino)-2,6-dimethylheptan-4-yl]amino]ethanol is sourced from PubChem (CID 143602754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).