2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol

C11H25NO — CID 122598675

IUPAC2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
SMILESCCCC[C@@H](CNCCO)C(C)C
InChIInChI=1S/C11H25NO/c1-4-5-6-11(10(2)3)9-12-7-8-13/h10-13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyHESVQZLSZAVAFP-NSHDSACASA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds8

About 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol

2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol (PubChem CID 122598675) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
PubChem CID122598675
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
SMILESCCCC[C@@H](CNCCO)C(C)C
InChIInChI=1S/C11H25NO/c1-4-5-6-11(10(2)3)9-12-7-8-13/h10-13H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyHESVQZLSZAVAFP-NSHDSACASA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-N-propylheptan-1-amine
CID 63521498
2-(2-aminohexylamino)ethanol
CID 83960481
N-ethyl-2-propan-2-ylheptan-1-amine
CID 62529144
3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine
CID 88921962
2-(3-methylheptylamino)ethanol
CID 87944554
N-ethyl-2-propan-2-yldodecan-1-amine
CID 63521323
N-(2-methoxyethyl)-2-propan-2-yldodecan-1-amine
CID 63503515
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
(2S)-2-butan-2-yl-N-propylheptan-1-amine
CID 164875858
5-phenyl-2-propan-2-yl-N-propylpentan-1-amine
CID 63522931

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol?
The IUPAC name of 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol (CID 122598675) is 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol.
What is the SMILES notation for 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol?
The canonical SMILES for 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol is CCCC[C@@H](CNCCO)C(C)C.
What is the InChIKey of 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol?
The InChIKey is HESVQZLSZAVAFP-NSHDSACASA-N. The full InChI is InChI=1S/C11H25NO/c1-4-5-6-11(10(2)3)9-12-7-8-13/h10-13H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol?
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol is sourced from PubChem (CID 122598675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).