1,2-dimethoxy-N,N,4-trimethylpentan-1-amine

C10H23NO2 — CID 87595068

IUPAC1,2-dimethoxy-N,N,4-trimethylpentan-1-amine
SMILESCOC(CC(C)C)C(OC)N(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)7-9(12-5)10(13-6)11(3)4/h8-10H,7H2,1-6H3
InChIKeyXWDKZHJVZMBBNB-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.58
Rot. Bonds6

About 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine

1,2-dimethoxy-N,N,4-trimethylpentan-1-amine (PubChem CID 87595068) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name1,2-dimethoxy-N,N,4-trimethylpentan-1-amine
PubChem CID87595068
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1,2-dimethoxy-N,N,4-trimethylpentan-1-amine
SMILESCOC(CC(C)C)C(OC)N(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)7-9(12-5)10(13-6)11(3)4/h8-10H,7H2,1-6H3
InChIKeyXWDKZHJVZMBBNB-UHFFFAOYSA-N
XLogP1.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dimethoxy-N,N,4-trimethylpentan-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

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine?
The IUPAC name of 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine (CID 87595068) is 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine.
What is the SMILES notation for 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine?
The canonical SMILES for 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine is COC(CC(C)C)C(OC)N(C)C.
What is the InChIKey of 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine?
The InChIKey is XWDKZHJVZMBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)7-9(12-5)10(13-6)11(3)4/h8-10H,7H2,1-6H3.
What are the key properties of 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine?
1,2-dimethoxy-N,N,4-trimethylpentan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-N,N,4-trimethylpentan-1-amine is sourced from PubChem (CID 87595068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).