3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine

C12H25NO — CID 145316678

IUPAC3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine
SMILESC=C[C@H](CC)CCOCCCN(C)C
InChIInChI=1S/C12H25NO/c1-5-12(6-2)8-11-14-10-7-9-13(3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyULQGYXLJKRFYGL-GFCCVEGCSA-N
MW199.34 g/mol
LogP2.56
Rot. Bonds9

About 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine

3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine (PubChem CID 145316678) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine
PubChem CID145316678
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine
SMILESC=C[C@H](CC)CCOCCCN(C)C
InChIInChI=1S/C12H25NO/c1-5-12(6-2)8-11-14-10-7-9-13(3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1
InChIKeyULQGYXLJKRFYGL-GFCCVEGCSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine (CID 145316678) is 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine is C=C[C@H](CC)CCOCCCN(C)C.
What is the InChIKey of 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is ULQGYXLJKRFYGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(6-2)8-11-14-10-7-9-13(3)4/h5,12H,1,6-11H2,2-4H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine?
3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-ethylpent-4-enoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 145316678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).