2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane

C12H27NO — CID 169182363

IUPAC2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane
SMILESC=C(OC(C)CC)C(N)C(C)C.CC
InChIInChI=1S/C10H21NO.C2H6/c1-6-8(4)12-9(5)10(11)7(2)3;1-2/h7-8,10H,5-6,11H2,1-4H3;1-2H3
InChIKeyZCUYQWPKZIXACQ-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.32
Rot. Bonds5

About 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane

2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane (PubChem CID 169182363) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane.

Molecular Properties

Compound Name2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane
PubChem CID169182363
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane
SMILESC=C(OC(C)CC)C(N)C(C)C.CC
InChIInChI=1S/C10H21NO.C2H6/c1-6-8(4)12-9(5)10(11)7(2)3;1-2/h7-8,10H,5-6,11H2,1-4H3;1-2H3
InChIKeyZCUYQWPKZIXACQ-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 53.32
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-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane?
The IUPAC name of 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane (CID 169182363) is 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane.
What is the SMILES notation for 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane?
The canonical SMILES for 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane is C=C(OC(C)CC)C(N)C(C)C.CC.
What is the InChIKey of 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane?
The InChIKey is ZCUYQWPKZIXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-6-8(4)12-9(5)10(11)7(2)3;1-2/h7-8,10H,5-6,11H2,1-4H3;1-2H3.
What are the key properties of 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane?
2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane has a molecular weight of 201.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-4-methylpent-1-en-3-amine;ethane is sourced from PubChem (CID 169182363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).