3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol

C18H40N2O2 — CID 134533549

IUPAC3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol
SMILESCCC(CNC(C)(C)C)OCC(C)(C)NCC(O)(CC)CC
InChIInChI=1S/C18H40N2O2/c1-9-15(12-19-16(4,5)6)22-14-17(7,8)20-13-18(21,10-2)11-3/h15,19-21H,9-14H2,1-8H3
InChIKeyWNPMFDRTQIHAQU-UHFFFAOYSA-N
MW316.53 g/mol
LogP3.09
Rot. Bonds11

About 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol

3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol (PubChem CID 134533549) has the molecular formula C18H40N2O2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol
PubChem CID134533549
Molecular FormulaC18H40N2O2
Molecular Weight316.53 g/mol
Exact Mass316.31
IUPAC Name3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol
SMILESCCC(CNC(C)(C)C)OCC(C)(C)NCC(O)(CC)CC
InChIInChI=1S/C18H40N2O2/c1-9-15(12-19-16(4,5)6)22-14-17(7,8)20-13-18(21,10-2)11-3/h15,19-21H,9-14H2,1-8H3
InChIKeyWNPMFDRTQIHAQU-UHFFFAOYSA-N
XLogP3.09
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-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 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol (CID 134533549) is 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol is CCC(CNC(C)(C)C)OCC(C)(C)NCC(O)(CC)CC.
What is the InChIKey of 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol?
The InChIKey is WNPMFDRTQIHAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2/c1-9-15(12-19-16(4,5)6)22-14-17(7,8)20-13-18(21,10-2)11-3/h15,19-21H,9-14H2,1-8H3.
What are the key properties of 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol?
3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol has a molecular weight of 316.53 g/mol, XLogP of 3.09, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-[1-(tert-butylamino)butan-2-yloxy]-2-methylpropan-2-yl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 134533549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).