2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine

C11H25NO — CID 62353421

IUPAC2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)OC(C)CC
InChIInChI=1S/C11H25NO/c1-6-8-12-9-11(4,5)13-10(3)7-2/h10,12H,6-9H2,1-5H3
InChIKeyOFYPVTXCANQKLQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds7

About 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine

2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine (PubChem CID 62353421) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine
PubChem CID62353421
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)OC(C)CC
InChIInChI=1S/C11H25NO/c1-6-8-12-9-11(4,5)13-10(3)7-2/h10,12H,6-9H2,1-5H3
InChIKeyOFYPVTXCANQKLQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
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-methoxy-2-methyl-N-propylpropan-1-amine
CID 62352630
2-(1-ethoxypropan-2-yloxy)-2-methyl-N-propylbutan-1-amine
CID 103490468
2,2,4-trimethyl-N-propylhexan-1-amine
CID 62724538
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62355608
2-butan-2-yloxy-N-propylpropan-1-amine
CID 62453626
2-methyl-1-(propylamino)propane-2-thiol
CID 118074642
2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
CID 87588712
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
2-tert-butyl-3-methyl-N-propylpentan-1-amine
CID 83138330
3-methyl-2-[(2-methylpropan-2-yl)oxy]-N-propylbutan-1-amine
CID 62456775
2-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 107897400

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine (CID 62353421) is 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine is CCCNCC(C)(C)OC(C)CC.
What is the InChIKey of 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is OFYPVTXCANQKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-8-12-9-11(4,5)13-10(3)7-2/h10,12H,6-9H2,1-5H3.
What are the key properties of 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine?
2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 62353421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).