3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine

C12H27NO — CID 59174831

IUPAC3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine
SMILESCC(C)NCC(COC(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)12(7-13-10(3)4)8-14-11(5)6/h9-13H,7-8H2,1-6H3
InChIKeyLSNFKSJHTWPUIZ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds7

About 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine

3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine (PubChem CID 59174831) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine
PubChem CID59174831
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine
SMILESCC(C)NCC(COC(C)C)C(C)C
InChIInChI=1S/C12H27NO/c1-9(2)12(7-13-10(3)4)8-14-11(5)6/h9-13H,7-8H2,1-6H3
InChIKeyLSNFKSJHTWPUIZ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine (CID 59174831) is 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine is CC(C)NCC(COC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine?
The InChIKey is LSNFKSJHTWPUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-9(2)12(7-13-10(3)4)8-14-11(5)6/h9-13H,7-8H2,1-6H3.
What are the key properties of 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine?
3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-2-(propan-2-yloxymethyl)butan-1-amine is sourced from PubChem (CID 59174831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).