2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine

C9H21NO — CID 87171010

IUPAC2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(N)CCOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H2,1-5H3
InChIKeyYCXOCDXPMSBWEX-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine

2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 87171010) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID87171010
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCC(C)(N)CCOC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H2,1-5H3
InChIKeyYCXOCDXPMSBWEX-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanamine, 1-(1,1-dimethylethoxy)-2-methyl-
CID 55252603
3-Fluoro-2-methyl-4-propan-2-yloxybutan-2-amine
CID 130589426
4-Ethoxy-2-methylbutan-2-amine
CID 19759946
4-(2-Methylbutan-2-yloxy)butan-2-amine
CID 43127768
2-Methyl-4-(propan-2-yloxy)butan-2-amine
CID 62620154
4-(2-Methoxyethoxy)-2-methylbutan-2-amine
CID 64188987
2-Methyl-4-(2-methylbutan-2-yloxy)butan-2-amine
CID 87160196
4-Ethoxy-2-methylbutan-2-amine;hydrochloride
CID 87312785
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine
CID 88535537
4-(4-Amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-amine
CID 88888145
4-(3-Amino-3-methylbutoxy)-2-methylbutan-2-amine
CID 88931627
2,3-Dimethyl-4-(2-methylbutan-2-yloxy)butan-2-amine
CID 89022163

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 87171010) is 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine is CC(C)(N)CCOC(C)(C)C.
What is the InChIKey of 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is YCXOCDXPMSBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2,3)11-7-6-9(4,5)10/h6-7,10H2,1-5H3.
What are the key properties of 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 87171010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).