4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine

C12H25NO — CID 88918748

IUPAC4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine
SMILESC=C(C)CC(C)OC(C)(C)CC(C)N
InChIInChI=1S/C12H25NO/c1-9(2)7-11(4)14-12(5,6)8-10(3)13/h10-11H,1,7-8,13H2,2-6H3
InChIKeyGYLGKKWYEKOVHA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.87
Rot. Bonds6

About 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine

4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine (PubChem CID 88918748) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine
PubChem CID88918748
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine
SMILESC=C(C)CC(C)OC(C)(C)CC(C)N
InChIInChI=1S/C12H25NO/c1-9(2)7-11(4)14-12(5,6)8-10(3)13/h10-11H,1,7-8,13H2,2-6H3
InChIKeyGYLGKKWYEKOVHA-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.87
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-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine?
The IUPAC name of 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine (CID 88918748) is 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine.
What is the SMILES notation for 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine?
The canonical SMILES for 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine is C=C(C)CC(C)OC(C)(C)CC(C)N.
What is the InChIKey of 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine?
The InChIKey is GYLGKKWYEKOVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)7-11(4)14-12(5,6)8-10(3)13/h10-11H,1,7-8,13H2,2-6H3.
What are the key properties of 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine?
4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-methylpent-4-en-2-yloxy)pentan-2-amine is sourced from PubChem (CID 88918748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).