2-methyl-1-(3-methylbutoxy)propan-2-amine

C9H21NO — CID 64537569

IUPAC2-methyl-1-(3-methylbutoxy)propan-2-amine
SMILESCC(C)CCOCC(C)(C)N
InChIInChI=1S/C9H21NO/c1-8(2)5-6-11-7-9(3,4)10/h8H,5-7,10H2,1-4H3
InChIKeyWVSAXLHYYFUFKS-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds5

About 2-methyl-1-(3-methylbutoxy)propan-2-amine

2-methyl-1-(3-methylbutoxy)propan-2-amine (PubChem CID 64537569) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbutoxy)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbutoxy)propan-2-amine
PubChem CID64537569
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-methyl-1-(3-methylbutoxy)propan-2-amine
SMILESCC(C)CCOCC(C)(C)N
InChIInChI=1S/C9H21NO/c1-8(2)5-6-11-7-9(3,4)10/h8H,5-7,10H2,1-4H3
InChIKeyWVSAXLHYYFUFKS-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
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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Related Compounds

2-methyl-1-(4-methylpentoxy)propan-2-amine
CID 83158586
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
1-(3,3-dimethylbutoxy)-2-methylpropan-2-amine
CID 64537370
1,4-bis[2-(3-methylbutoxy)ethoxy]-2-[2-(3-methylbutoxy)ethoxymethyl]-2-[[4-[2-(3-methylbutoxy)ethoxy]-2-[2-[2-(3-methylbutoxy)ethoxy]ethoxymethyl]-2-[2-(3-methylbutoxy)ethoxymethyl]butoxy]methyl]butane
CID 166562519
6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
3-methyl-1-[3-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]propoxy]butane
CID 139316697
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
CID 166008404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbutoxy)propan-2-amine?
The IUPAC name of 2-methyl-1-(3-methylbutoxy)propan-2-amine (CID 64537569) is 2-methyl-1-(3-methylbutoxy)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(3-methylbutoxy)propan-2-amine?
The canonical SMILES for 2-methyl-1-(3-methylbutoxy)propan-2-amine is CC(C)CCOCC(C)(C)N.
What is the InChIKey of 2-methyl-1-(3-methylbutoxy)propan-2-amine?
The InChIKey is WVSAXLHYYFUFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)5-6-11-7-9(3,4)10/h8H,5-7,10H2,1-4H3.
What are the key properties of 2-methyl-1-(3-methylbutoxy)propan-2-amine?
2-methyl-1-(3-methylbutoxy)propan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbutoxy)propan-2-amine is sourced from PubChem (CID 64537569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).