3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine

C14H29NO2 — CID 130440875

IUPAC3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine
SMILESC=C(C)CC(C)(C)OCC(C)(C)OCCCN
InChIInChI=1S/C14H29NO2/c1-12(2)10-13(3,4)17-11-14(5,6)16-9-7-8-15/h1,7-11,15H2,2-6H3
InChIKeyROTGLBXFAPUQSP-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.89
Rot. Bonds9

About 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine

3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine (PubChem CID 130440875) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine
PubChem CID130440875
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine
SMILESC=C(C)CC(C)(C)OCC(C)(C)OCCCN
InChIInChI=1S/C14H29NO2/c1-12(2)10-13(3,4)17-11-14(5,6)16-9-7-8-15/h1,7-11,15H2,2-6H3
InChIKeyROTGLBXFAPUQSP-UHFFFAOYSA-N
XLogP2.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine (CID 130440875) is 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine is C=C(C)CC(C)(C)OCC(C)(C)OCCCN.
What is the InChIKey of 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine?
The InChIKey is ROTGLBXFAPUQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)10-13(3,4)17-11-14(5,6)16-9-7-8-15/h1,7-11,15H2,2-6H3.
What are the key properties of 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine?
3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylpent-4-en-2-yloxy)-2-methylpropan-2-yl]oxypropan-1-amine is sourced from PubChem (CID 130440875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).