3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine

C12H27NO — CID 82929077

IUPAC3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine
SMILESCCC(CC)COCCCNC(C)C
InChIInChI=1S/C12H27NO/c1-5-12(6-2)10-14-9-7-8-13-11(3)4/h11-13H,5-10H2,1-4H3
InChIKeySJGGMLZUXBPNLV-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds9

About 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine

3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine (PubChem CID 82929077) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine
PubChem CID82929077
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine
SMILESCCC(CC)COCCCNC(C)C
InChIInChI=1S/C12H27NO/c1-5-12(6-2)10-14-9-7-8-13-11(3)4/h11-13H,5-10H2,1-4H3
InChIKeySJGGMLZUXBPNLV-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
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 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine (CID 82929077) is 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine is CCC(CC)COCCCNC(C)C.
What is the InChIKey of 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is SJGGMLZUXBPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-12(6-2)10-14-9-7-8-13-11(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine?
3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutoxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 82929077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).