2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine

C12H27NO — CID 139652117

IUPAC2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CN)(COC)C(C)CC
InChIInChI=1S/C12H27NO/c1-6-10(3)12(8-13,9-14-5)11(4)7-2/h10-11H,6-9,13H2,1-5H3
InChIKeyGAZANYFCZOYEAZ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.67
Rot. Bonds7

About 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine

2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine (PubChem CID 139652117) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine
PubChem CID139652117
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CN)(COC)C(C)CC
InChIInChI=1S/C12H27NO/c1-6-10(3)12(8-13,9-14-5)11(4)7-2/h10-11H,6-9,13H2,1-5H3
InChIKeyGAZANYFCZOYEAZ-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(Methoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055112
1-[1-(Methoxymethyl)cyclopentyl]methanamine
CID 28064729
[3-(2-Methylpropyl)oxetan-3-yl]methanamine
CID 83479203
2-Cyclopropyl-3-methoxy-2-methylpropan-1-amine
CID 83904945
2-Cyclopentyl-3-methoxy-2-methylpropan-1-amine
CID 84109029
2-Cyclohexyl-3-methoxy-2-methylpropan-1-amine
CID 84111750
5-(Methoxymethyl)heptan-1-amine
CID 89131391
2-(Ethoxymethyl)-4-methyl-2-propylpentan-1-amine
CID 91542550
2-(Methoxymethyl)-2-methylpentan-1-amine
CID 103984443
2-Ethyl-2-(methoxymethyl)hexan-1-amine
CID 103984446
2-(Aminomethyl)-4-methyl-2-propan-2-ylpentan-1-ol
CID 106507553
2-(Aminomethyl)-2-propan-2-ylpentan-1-ol
CID 106507597

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine?
The IUPAC name of 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine (CID 139652117) is 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine.
What is the SMILES notation for 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine?
The canonical SMILES for 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine is CCC(C)C(CN)(COC)C(C)CC.
What is the InChIKey of 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine?
The InChIKey is GAZANYFCZOYEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10(3)12(8-13,9-14-5)11(4)7-2/h10-11H,6-9,13H2,1-5H3.
What are the key properties of 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine?
2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-(methoxymethyl)-3-methylpentan-1-amine is sourced from PubChem (CID 139652117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).