2-butoxypropan-2-amine

C7H17NO — CID 87385345

IUPAC2-butoxypropan-2-amine
SMILESCCCCOC(C)(C)N
InChIInChI=1S/C7H17NO/c1-4-5-6-9-7(2,3)8/h4-6,8H2,1-3H3
InChIKeyHCAMXPARSRTSHL-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.50
Rot. Bonds4

About 2-butoxypropan-2-amine

2-butoxypropan-2-amine (PubChem CID 87385345) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-butoxypropan-2-amine.

Molecular Properties

Compound Name2-butoxypropan-2-amine
PubChem CID87385345
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-butoxypropan-2-amine
SMILESCCCCOC(C)(C)N
InChIInChI=1S/C7H17NO/c1-4-5-6-9-7(2,3)8/h4-6,8H2,1-3H3
InChIKeyHCAMXPARSRTSHL-UHFFFAOYSA-N
XLogP1.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxypropan-2-amine?
The IUPAC name of 2-butoxypropan-2-amine (CID 87385345) is 2-butoxypropan-2-amine.
What is the SMILES notation for 2-butoxypropan-2-amine?
The canonical SMILES for 2-butoxypropan-2-amine is CCCCOC(C)(C)N.
What is the InChIKey of 2-butoxypropan-2-amine?
The InChIKey is HCAMXPARSRTSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-5-6-9-7(2,3)8/h4-6,8H2,1-3H3.
What are the key properties of 2-butoxypropan-2-amine?
2-butoxypropan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxypropan-2-amine is sourced from PubChem (CID 87385345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).