1-(4,4-dimethylpentoxy)ethanamine

C9H21NO — CID 134445550

IUPAC1-(4,4-dimethylpentoxy)ethanamine
SMILESCC(N)OCCCC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(10)11-7-5-6-9(2,3)4/h8H,5-7,10H2,1-4H3
InChIKeyGHHHRMXSECAXLL-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.13
Rot. Bonds4

About 1-(4,4-dimethylpentoxy)ethanamine

1-(4,4-dimethylpentoxy)ethanamine (PubChem CID 134445550) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-(4,4-dimethylpentoxy)ethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylpentoxy)ethanamine
PubChem CID134445550
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-(4,4-dimethylpentoxy)ethanamine
SMILESCC(N)OCCCC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(10)11-7-5-6-9(2,3)4/h8H,5-7,10H2,1-4H3
InChIKeyGHHHRMXSECAXLL-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentoxy)ethanamine?
The IUPAC name of 1-(4,4-dimethylpentoxy)ethanamine (CID 134445550) is 1-(4,4-dimethylpentoxy)ethanamine.
What is the SMILES notation for 1-(4,4-dimethylpentoxy)ethanamine?
The canonical SMILES for 1-(4,4-dimethylpentoxy)ethanamine is CC(N)OCCCC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentoxy)ethanamine?
The InChIKey is GHHHRMXSECAXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(10)11-7-5-6-9(2,3)4/h8H,5-7,10H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentoxy)ethanamine?
1-(4,4-dimethylpentoxy)ethanamine has a molecular weight of 159.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentoxy)ethanamine is sourced from PubChem (CID 134445550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).