N-(2-methoxyethyl)-4-methyloctan-4-amine

C12H27NO — CID 123160603

IUPACN-(2-methoxyethyl)-4-methyloctan-4-amine
SMILESCCCCC(C)(CCC)NCCOC
InChIInChI=1S/C12H27NO/c1-5-7-9-12(3,8-6-2)13-10-11-14-4/h13H,5-11H2,1-4H3
InChIKeyVZMIKKANCQNPJN-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds9

About N-(2-methoxyethyl)-4-methyloctan-4-amine

N-(2-methoxyethyl)-4-methyloctan-4-amine (PubChem CID 123160603) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyloctan-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyloctan-4-amine
PubChem CID123160603
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-(2-methoxyethyl)-4-methyloctan-4-amine
SMILESCCCCC(C)(CCC)NCCOC
InChIInChI=1S/C12H27NO/c1-5-7-9-12(3,8-6-2)13-10-11-14-4/h13H,5-11H2,1-4H3
InChIKeyVZMIKKANCQNPJN-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-methyloctan-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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyloctan-4-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyloctan-4-amine (CID 123160603) is N-(2-methoxyethyl)-4-methyloctan-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyloctan-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyloctan-4-amine is CCCCC(C)(CCC)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-4-methyloctan-4-amine?
The InChIKey is VZMIKKANCQNPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-7-9-12(3,8-6-2)13-10-11-14-4/h13H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-methyloctan-4-amine?
N-(2-methoxyethyl)-4-methyloctan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyloctan-4-amine is sourced from PubChem (CID 123160603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).