1-methoxy-2,5-dimethylhex-5-en-1-amine

C9H19NO — CID 123303711

IUPAC1-methoxy-2,5-dimethylhex-5-en-1-amine
SMILESC=C(C)CCC(C)C(N)OC
InChIInChI=1S/C9H19NO/c1-7(2)5-6-8(3)9(10)11-4/h8-9H,1,5-6,10H2,2-4H3
InChIKeyXCHLCQLZSLFJPY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.91
Rot. Bonds5

About 1-methoxy-2,5-dimethylhex-5-en-1-amine

1-methoxy-2,5-dimethylhex-5-en-1-amine (PubChem CID 123303711) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-methoxy-2,5-dimethylhex-5-en-1-amine.

Molecular Properties

Compound Name1-methoxy-2,5-dimethylhex-5-en-1-amine
PubChem CID123303711
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-methoxy-2,5-dimethylhex-5-en-1-amine
SMILESC=C(C)CCC(C)C(N)OC
InChIInChI=1S/C9H19NO/c1-7(2)5-6-8(3)9(10)11-4/h8-9H,1,5-6,10H2,2-4H3
InChIKeyXCHLCQLZSLFJPY-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-2,5-dimethylhex-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-propan-2-yl-3,4-dihydro-2H-pyran-2-amine
CID 91511758
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529
4-Methoxy-2-propylpent-4-en-1-amine
CID 143347785
1-(5-Methylhex-5-enoxy)ethanamine
CID 155085112
2-[(E)-1-methoxyprop-1-en-2-yl]pentan-1-amine
CID 166782965
4-Methylidene-6-(2-methylpropoxy)hexan-1-amine
CID 166831456
6-Methoxy-2,5-dimethylhex-1-en-3-amine
CID 105163566
6-(3-Methylbut-3-enoxy)hexan-1-amine
CID 114470642
6-Methoxy-3-methylidenehexan-1-amine
CID 117268174
3-(Oxan-4-yl)but-3-en-1-amine
CID 117268262
2-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 165686002

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,5-dimethylhex-5-en-1-amine?
The IUPAC name of 1-methoxy-2,5-dimethylhex-5-en-1-amine (CID 123303711) is 1-methoxy-2,5-dimethylhex-5-en-1-amine.
What is the SMILES notation for 1-methoxy-2,5-dimethylhex-5-en-1-amine?
The canonical SMILES for 1-methoxy-2,5-dimethylhex-5-en-1-amine is C=C(C)CCC(C)C(N)OC.
What is the InChIKey of 1-methoxy-2,5-dimethylhex-5-en-1-amine?
The InChIKey is XCHLCQLZSLFJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-6-8(3)9(10)11-4/h8-9H,1,5-6,10H2,2-4H3.
What are the key properties of 1-methoxy-2,5-dimethylhex-5-en-1-amine?
1-methoxy-2,5-dimethylhex-5-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,5-dimethylhex-5-en-1-amine is sourced from PubChem (CID 123303711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).