1-methoxy-N,2,7-trimethyloct-7-en-4-amine

C12H25NO — CID 105182739

IUPAC1-methoxy-N,2,7-trimethyloct-7-en-4-amine
SMILESC=C(C)CCC(CC(C)COC)NC
InChIInChI=1S/C12H25NO/c1-10(2)6-7-12(13-4)8-11(3)9-14-5/h11-13H,1,6-9H2,2-5H3
InChIKeyJTPPPOPETXLVRS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds8

About 1-methoxy-N,2,7-trimethyloct-7-en-4-amine

1-methoxy-N,2,7-trimethyloct-7-en-4-amine (PubChem CID 105182739) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-methoxy-N,2,7-trimethyloct-7-en-4-amine.

Molecular Properties

Compound Name1-methoxy-N,2,7-trimethyloct-7-en-4-amine
PubChem CID105182739
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-methoxy-N,2,7-trimethyloct-7-en-4-amine
SMILESC=C(C)CCC(CC(C)COC)NC
InChIInChI=1S/C12H25NO/c1-10(2)6-7-12(13-4)8-11(3)9-14-5/h11-13H,1,6-9H2,2-5H3
InChIKeyJTPPPOPETXLVRS-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxy-N,2,7-trimethyloct-7-en-4-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

1-methoxy-2,7-dimethyl-N-propyloct-7-en-4-amine
CID 105182583
1-methoxy-N,2,7-trimethyloctan-4-amine
CID 105127267
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
6-methoxy-N,2,5-trimethylhex-1-en-3-amine
CID 105163815
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093
N,2,7,8,8-pentamethylnon-1-en-5-amine
CID 105039716
8,8,8-trifluoro-1-methoxy-N,2-dimethyloctan-4-amine
CID 105174487
7-methoxy-N,6-dimethylhept-1-en-4-amine
CID 105108659
N,5-dimethyl-7-prop-1-en-2-yloxyheptan-3-amine
CID 166718334
N-ethyl-1-methoxy-6-methylhept-6-en-3-amine
CID 114474356
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
N,2,6-trimethylhept-6-en-3-amine
CID 114474208

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,2,7-trimethyloct-7-en-4-amine?
The IUPAC name of 1-methoxy-N,2,7-trimethyloct-7-en-4-amine (CID 105182739) is 1-methoxy-N,2,7-trimethyloct-7-en-4-amine.
What is the SMILES notation for 1-methoxy-N,2,7-trimethyloct-7-en-4-amine?
The canonical SMILES for 1-methoxy-N,2,7-trimethyloct-7-en-4-amine is C=C(C)CCC(CC(C)COC)NC.
What is the InChIKey of 1-methoxy-N,2,7-trimethyloct-7-en-4-amine?
The InChIKey is JTPPPOPETXLVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)6-7-12(13-4)8-11(3)9-14-5/h11-13H,1,6-9H2,2-5H3.
What are the key properties of 1-methoxy-N,2,7-trimethyloct-7-en-4-amine?
1-methoxy-N,2,7-trimethyloct-7-en-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,2,7-trimethyloct-7-en-4-amine is sourced from PubChem (CID 105182739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).