N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine

C12H25NO2 — CID 79607232

IUPACN-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine
SMILESCOCCNCCC=C(C)COC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)15-10-12(3)6-5-7-13-8-9-14-4/h6,11,13H,5,7-10H2,1-4H3
InChIKeySVFUHURJFYQBBM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds9

About N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine

N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine (PubChem CID 79607232) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine
PubChem CID79607232
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine
SMILESCOCCNCCC=C(C)COC(C)C
InChIInChI=1S/C12H25NO2/c1-11(2)15-10-12(3)6-5-7-13-8-9-14-4/h6,11,13H,5,7-10H2,1-4H3
InChIKeySVFUHURJFYQBBM-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
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 N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine (CID 79607232) is N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine is COCCNCCC=C(C)COC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine?
The InChIKey is SVFUHURJFYQBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)15-10-12(3)6-5-7-13-8-9-14-4/h6,11,13H,5,7-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine?
N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-5-propan-2-yloxypent-3-en-1-amine is sourced from PubChem (CID 79607232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).