3-butan-2-yloxy-N,N-diethylpropan-1-amine

C11H25NO — CID 88586577

IUPAC3-butan-2-yloxy-N,N-diethylpropan-1-amine
SMILESCCC(C)OCCCN(CC)CC
InChIInChI=1S/C11H25NO/c1-5-11(4)13-10-8-9-12(6-2)7-3/h11H,5-10H2,1-4H3
InChIKeyPDEHAAZGQITQGK-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds8

About 3-butan-2-yloxy-N,N-diethylpropan-1-amine

3-butan-2-yloxy-N,N-diethylpropan-1-amine (PubChem CID 88586577) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-butan-2-yloxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-butan-2-yloxy-N,N-diethylpropan-1-amine
PubChem CID88586577
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-butan-2-yloxy-N,N-diethylpropan-1-amine
SMILESCCC(C)OCCCN(CC)CC
InChIInChI=1S/C11H25NO/c1-5-11(4)13-10-8-9-12(6-2)7-3/h11H,5-10H2,1-4H3
InChIKeyPDEHAAZGQITQGK-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
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 3-butan-2-yloxy-N,N-diethylpropan-1-amine?
The IUPAC name of 3-butan-2-yloxy-N,N-diethylpropan-1-amine (CID 88586577) is 3-butan-2-yloxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-butan-2-yloxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-butan-2-yloxy-N,N-diethylpropan-1-amine is CCC(C)OCCCN(CC)CC.
What is the InChIKey of 3-butan-2-yloxy-N,N-diethylpropan-1-amine?
The InChIKey is PDEHAAZGQITQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-11(4)13-10-8-9-12(6-2)7-3/h11H,5-10H2,1-4H3.
What are the key properties of 3-butan-2-yloxy-N,N-diethylpropan-1-amine?
3-butan-2-yloxy-N,N-diethylpropan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 88586577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).