2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine

C9H19NO — CID 18717509

IUPAC2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine
SMILESC=C(OCCN)C(C)(C)CC
InChIInChI=1S/C9H19NO/c1-5-9(3,4)8(2)11-7-6-10/h2,5-7,10H2,1,3-4H3
InChIKeyXWIACFCLXYQPEW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.91
Rot. Bonds5

About 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine

2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine (PubChem CID 18717509) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine
PubChem CID18717509
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine
SMILESC=C(OCCN)C(C)(C)CC
InChIInChI=1S/C9H19NO/c1-5-9(3,4)8(2)11-7-6-10/h2,5-7,10H2,1,3-4H3
InChIKeyXWIACFCLXYQPEW-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine?
The IUPAC name of 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine (CID 18717509) is 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine?
The canonical SMILES for 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine is C=C(OCCN)C(C)(C)CC.
What is the InChIKey of 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine?
The InChIKey is XWIACFCLXYQPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(3,4)8(2)11-7-6-10/h2,5-7,10H2,1,3-4H3.
What are the key properties of 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine?
2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpent-1-en-2-yloxy)ethanamine is sourced from PubChem (CID 18717509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).