5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine

C12H25NO2 — CID 102928582

IUPAC5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine
SMILESC=C(C)C(CCOCCOC)NCCC
InChIInChI=1S/C12H25NO2/c1-5-7-13-12(11(2)3)6-8-15-10-9-14-4/h12-13H,2,5-10H2,1,3-4H3
InChIKeyKLWOYBAQKNCVND-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds10

About 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine

5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine (PubChem CID 102928582) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine
PubChem CID102928582
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine
SMILESC=C(C)C(CCOCCOC)NCCC
InChIInChI=1S/C12H25NO2/c1-5-7-13-12(11(2)3)6-8-15-10-9-14-4/h12-13H,2,5-10H2,1,3-4H3
InChIKeyKLWOYBAQKNCVND-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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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Related Compounds

N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148287
N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148523
2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-amine
CID 103148695
5-(2,2-difluoroethoxy)-N,2-dimethylpent-1-en-3-amine
CID 103149222
5-(2,2-difluoroethoxy)-N-ethyl-2-methylpent-1-en-3-amine
CID 103149558
5-(2,2-difluoroethoxy)-2-methyl-N-propylpent-1-en-3-amine
CID 103149865
N-(2-methylidenebutyl)oxan-4-amine
CID 66044496
N-ethyl-1-methoxy-5-methylhex-5-en-3-amine
CID 79179984
1-methoxy-5-methyl-N-propylhex-5-en-3-amine
CID 79179985
5-methoxy-N,2-dimethylpent-1-en-3-amine
CID 79190407
N-ethyl-5-methoxy-2-methylpent-1-en-3-amine
CID 79190519
5-methoxy-2-methyl-N-propylpent-1-en-3-amine
CID 79190521

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine?
The IUPAC name of 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine (CID 102928582) is 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine.
What is the SMILES notation for 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine?
The canonical SMILES for 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine is C=C(C)C(CCOCCOC)NCCC.
What is the InChIKey of 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine?
The InChIKey is KLWOYBAQKNCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-13-12(11(2)3)6-8-15-10-9-14-4/h12-13H,2,5-10H2,1,3-4H3.
What are the key properties of 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine?
5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-2-methyl-N-propylpent-1-en-3-amine is sourced from PubChem (CID 102928582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).