2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine

C12H25NO — CID 145418995

IUPAC2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine
SMILESC=C(OCCN)C(C(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(12(4,5)6)10(3)14-8-7-13/h9,11H,3,7-8,13H2,1-2,4-6H3
InChIKeyNUHQOQZDIVPQTR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.79
Rot. Bonds5

About 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine

2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine (PubChem CID 145418995) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine.

Molecular Properties

Compound Name2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine
PubChem CID145418995
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine
SMILESC=C(OCCN)C(C(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-9(2)11(12(4,5)6)10(3)14-8-7-13/h9,11H,3,7-8,13H2,1-2,4-6H3
InChIKeyNUHQOQZDIVPQTR-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.79
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-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine?
The IUPAC name of 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine (CID 145418995) is 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine.
What is the SMILES notation for 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine?
The canonical SMILES for 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine is C=C(OCCN)C(C(C)C)C(C)(C)C.
What is the InChIKey of 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine?
The InChIKey is NUHQOQZDIVPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(12(4,5)6)10(3)14-8-7-13/h9,11H,3,7-8,13H2,1-2,4-6H3.
What are the key properties of 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine?
2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-3-propan-2-ylpent-1-en-2-yl)oxyethanamine is sourced from PubChem (CID 145418995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).