4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine

C13H27NO — CID 123823965

IUPAC4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine
SMILESC=C(C)C(C)COC(C)(CC)CC(C)N
InChIInChI=1S/C13H27NO/c1-7-13(6,8-12(5)14)15-9-11(4)10(2)3/h11-12H,2,7-9,14H2,1,3-6H3
InChIKeyRFURPTSJAZROQI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.12
Rot. Bonds7

About 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine

4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine (PubChem CID 123823965) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine
PubChem CID123823965
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine
SMILESC=C(C)C(C)COC(C)(CC)CC(C)N
InChIInChI=1S/C13H27NO/c1-7-13(6,8-12(5)14)15-9-11(4)10(2)3/h11-12H,2,7-9,14H2,1,3-6H3
InChIKeyRFURPTSJAZROQI-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine?
The IUPAC name of 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine (CID 123823965) is 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine.
What is the SMILES notation for 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine?
The canonical SMILES for 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine is C=C(C)C(C)COC(C)(CC)CC(C)N.
What is the InChIKey of 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine?
The InChIKey is RFURPTSJAZROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-13(6,8-12(5)14)15-9-11(4)10(2)3/h11-12H,2,7-9,14H2,1,3-6H3.
What are the key properties of 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine?
4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbut-3-enoxy)-4-methylhexan-2-amine is sourced from PubChem (CID 123823965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).