2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine

C18H40N2O2 — CID 138549251

IUPAC2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine
SMILESCCCOC(C)(C)CCNCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C18H40N2O2/c1-8-14-21-17(4,5)9-12-20-13-10-18(6,7)22-15-11-16(2,3)19/h20H,8-15,19H2,1-7H3
InChIKeyXHPXDOLJMWCHCL-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.48
Rot. Bonds13

About 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine

2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine (PubChem CID 138549251) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine
PubChem CID138549251
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC Name2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine
SMILESCCCOC(C)(C)CCNCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C18H40N2O2/c1-8-14-21-17(4,5)9-12-20-13-10-18(6,7)22-15-11-16(2,3)19/h20H,8-15,19H2,1-7H3
InChIKeyXHPXDOLJMWCHCL-UHFFFAOYSA-N
XLogP3.48
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-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-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine?
The IUPAC name of 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine (CID 138549251) is 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine.
What is the SMILES notation for 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine?
The canonical SMILES for 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine is CCCOC(C)(C)CCNCCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine?
The InChIKey is XHPXDOLJMWCHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-8-14-21-17(4,5)9-12-20-13-10-18(6,7)22-15-11-16(2,3)19/h20H,8-15,19H2,1-7H3.
What are the key properties of 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine?
2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine has a molecular weight of 316.53 g/mol, XLogP of 3.48, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-4-[(3-methyl-3-propoxybutyl)amino]butan-2-yl]oxybutan-2-amine is sourced from PubChem (CID 138549251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).