1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine

C10H21NO2 — CID 102927795

IUPAC1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
SMILESC=C(C)CC(N)CCOCCOC
InChIInChI=1S/C10H21NO2/c1-9(2)8-10(11)4-5-13-7-6-12-3/h10H,1,4-8,11H2,2-3H3
InChIKeyVMBDXWBAPMVMDS-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.33
Rot. Bonds8

About 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine

1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine (PubChem CID 102927795) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
PubChem CID102927795
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
SMILESC=C(C)CC(N)CCOCCOC
InChIInChI=1S/C10H21NO2/c1-9(2)8-10(11)4-5-13-7-6-12-3/h10H,1,4-8,11H2,2-3H3
InChIKeyVMBDXWBAPMVMDS-UHFFFAOYSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.33
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

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-amine
CID 103148814
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529
4-Methylidene-1-propoxyhexan-2-amine
CID 66038270
1-Methoxy-5-methylideneheptan-3-amine
CID 66038745
1-Ethoxy-4-methylidenehexan-2-amine
CID 66039964
6-Methoxy-2-methylhex-1-en-3-amine
CID 79177285
1-Methoxy-5-methylhex-5-en-3-amine
CID 79179783
1-(2-Methoxyethoxy)hex-5-en-3-amine
CID 102927773
1-(2-Methoxyethoxy)hept-6-en-3-amine
CID 102927819
5-(2-Methoxyethoxy)-2-methylpent-1-en-3-amine
CID 102927828
1-(2-Methoxyethoxy)-5-methylideneheptan-3-amine
CID 102927882

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
The IUPAC name of 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine (CID 102927795) is 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
The canonical SMILES for 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine is C=C(C)CC(N)CCOCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
The InChIKey is VMBDXWBAPMVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)8-10(11)4-5-13-7-6-12-3/h10H,1,4-8,11H2,2-3H3.
What are the key properties of 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine?
1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine has a molecular weight of 187.28 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine is sourced from PubChem (CID 102927795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).