(3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine

C11H25NO — CID 166869624

IUPAC(3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine
SMILESCC[C@@H](CC(C)(C)C)NCCOC
InChIInChI=1S/C11H25NO/c1-6-10(9-11(2,3)4)12-7-8-13-5/h10,12H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyWMGYURQYOSLTKS-JTQLQIEISA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds6

About (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine

(3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine (PubChem CID 166869624) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine
PubChem CID166869624
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine
SMILESCC[C@@H](CC(C)(C)C)NCCOC
InChIInChI=1S/C11H25NO/c1-6-10(9-11(2,3)4)12-7-8-13-5/h10,12H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyWMGYURQYOSLTKS-JTQLQIEISA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine?
The IUPAC name of (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine (CID 166869624) is (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine is CC[C@@H](CC(C)(C)C)NCCOC.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine?
The InChIKey is WMGYURQYOSLTKS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25NO/c1-6-10(9-11(2,3)4)12-7-8-13-5/h10,12H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine?
(3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 166869624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).