2-methoxy-2-methyl-N-propyldodecan-4-amine

C17H37NO — CID 103025059

IUPAC2-methoxy-2-methyl-N-propyldodecan-4-amine
SMILESCCCCCCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-16(18-14-7-2)15-17(3,4)19-5/h16,18H,6-15H2,1-5H3
InChIKeyBEBIOJQZURNWEB-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.92
Rot. Bonds13

About 2-methoxy-2-methyl-N-propyldodecan-4-amine

2-methoxy-2-methyl-N-propyldodecan-4-amine (PubChem CID 103025059) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propyldodecan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propyldodecan-4-amine
PubChem CID103025059
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name2-methoxy-2-methyl-N-propyldodecan-4-amine
SMILESCCCCCCCCC(CC(C)(C)OC)NCCC
InChIInChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-16(18-14-7-2)15-17(3,4)19-5/h16,18H,6-15H2,1-5H3
InChIKeyBEBIOJQZURNWEB-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-2-methyl-N-propyldodecan-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 2-methoxy-2-methyl-N-propyldodecan-4-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propyldodecan-4-amine (CID 103025059) is 2-methoxy-2-methyl-N-propyldodecan-4-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propyldodecan-4-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propyldodecan-4-amine is CCCCCCCCC(CC(C)(C)OC)NCCC.
What is the InChIKey of 2-methoxy-2-methyl-N-propyldodecan-4-amine?
The InChIKey is BEBIOJQZURNWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-6-8-9-10-11-12-13-16(18-14-7-2)15-17(3,4)19-5/h16,18H,6-15H2,1-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propyldodecan-4-amine?
2-methoxy-2-methyl-N-propyldodecan-4-amine has a molecular weight of 271.49 g/mol, XLogP of 4.92, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propyldodecan-4-amine is sourced from PubChem (CID 103025059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).