5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C16H36N2O2 — CID 64828176

IUPAC5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)N(CCCC(C)(CO)NC(C)C)CCOC
InChIInChI=1S/C16H36N2O2/c1-7-15(4)18(11-12-20-6)10-8-9-16(5,13-19)17-14(2)3/h14-15,17,19H,7-13H2,1-6H3
InChIKeyVOQPVIWEDWOYOR-UHFFFAOYSA-N
MW288.48 g/mol
LogP2.26
Rot. Bonds12

About 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64828176) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64828176
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(C)N(CCCC(C)(CO)NC(C)C)CCOC
InChIInChI=1S/C16H36N2O2/c1-7-15(4)18(11-12-20-6)10-8-9-16(5,13-19)17-14(2)3/h14-15,17,19H,7-13H2,1-6H3
InChIKeyVOQPVIWEDWOYOR-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol 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 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64828176) is 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CCC(C)N(CCCC(C)(CO)NC(C)C)CCOC.
What is the InChIKey of 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is VOQPVIWEDWOYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O2/c1-7-15(4)18(11-12-20-6)10-8-9-16(5,13-19)17-14(2)3/h14-15,17,19H,7-13H2,1-6H3.
What are the key properties of 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 288.48 g/mol, XLogP of 2.26, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64828176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).