2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine

C12H27NO — CID 62456622

IUPAC2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine
SMILESCCC(C)(C)OCCCNC(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-12(5,6)14-10-8-9-13-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyMCFXGBZQHFOQKS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds6

About 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine

2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine (PubChem CID 62456622) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine
PubChem CID62456622
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine
SMILESCCC(C)(C)OCCCNC(C)(C)C
InChIInChI=1S/C12H27NO/c1-7-12(5,6)14-10-8-9-13-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyMCFXGBZQHFOQKS-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine (CID 62456622) is 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine is CCC(C)(C)OCCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine?
The InChIKey is MCFXGBZQHFOQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-7-12(5,6)14-10-8-9-13-11(2,3)4/h13H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine?
2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylbutan-2-yloxy)propyl]propan-2-amine is sourced from PubChem (CID 62456622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).