(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine

C13H25NO — CID 89383878

IUPAC(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine
SMILESC=C(O/C=C(\C)C(C)C)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-9(2)10(3)8-15-11(4)12(14)13(5,6)7/h8-9,12H,4,14H2,1-3,5-7H3/b10-8+/t12-/m0/s1
InChIKeyZAQXZVZZDMDFNC-OANVXVOSSA-N
MW211.35 g/mol
LogP3.45
Rot. Bonds4

About (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine

(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine (PubChem CID 89383878) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine
PubChem CID89383878
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine
SMILESC=C(O/C=C(\C)C(C)C)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H25NO/c1-9(2)10(3)8-15-11(4)12(14)13(5,6)7/h8-9,12H,4,14H2,1-3,5-7H3/b10-8+/t12-/m0/s1
InChIKeyZAQXZVZZDMDFNC-OANVXVOSSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.45
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 (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine?
The IUPAC name of (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine (CID 89383878) is (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine?
The canonical SMILES for (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine is C=C(O/C=C(\C)C(C)C)[C@H](N)C(C)(C)C.
What is the InChIKey of (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine?
The InChIKey is ZAQXZVZZDMDFNC-OANVXVOSSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(2)10(3)8-15-11(4)12(14)13(5,6)7/h8-9,12H,4,14H2,1-3,5-7H3/b10-8+/t12-/m0/s1.
What are the key properties of (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine?
(3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine has a molecular weight of 211.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(E)-2,3-dimethylbut-1-enoxy]-4,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 89383878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).