3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine

C12H25NO — CID 91549633

IUPAC3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine
SMILESCC(C)=COCC(C)(CCN)C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)8-14-9-12(5,6-7-13)11(3)4/h8,11H,6-7,9,13H2,1-5H3
InChIKeyICNGIYRVYHMKIG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.94
Rot. Bonds6

About 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine

3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine (PubChem CID 91549633) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine
PubChem CID91549633
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine
SMILESCC(C)=COCC(C)(CCN)C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)8-14-9-12(5,6-7-13)11(3)4/h8,11H,6-7,9,13H2,1-5H3
InChIKeyICNGIYRVYHMKIG-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine?
The IUPAC name of 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine (CID 91549633) is 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine.
What is the SMILES notation for 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine?
The canonical SMILES for 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine is CC(C)=COCC(C)(CCN)C(C)C.
What is the InChIKey of 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine?
The InChIKey is ICNGIYRVYHMKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)8-14-9-12(5,6-7-13)11(3)4/h8,11H,6-7,9,13H2,1-5H3.
What are the key properties of 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine?
3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3-(2-methylprop-1-enoxymethyl)pentan-1-amine is sourced from PubChem (CID 91549633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).