3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol

C14H29NO2 — CID 65105820

IUPAC3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCOC(C(C)C)C1
InChIInChI=1S/C14H29NO2/c1-5-14(16,6-2)10-15-12-7-8-17-13(9-12)11(3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyDYWOZHYUOHFODY-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds6

About 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol

3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol (PubChem CID 65105820) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
PubChem CID65105820
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCOC(C(C)C)C1
InChIInChI=1S/C14H29NO2/c1-5-14(16,6-2)10-15-12-7-8-17-13(9-12)11(3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeyDYWOZHYUOHFODY-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol (CID 65105820) is 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CCOC(C(C)C)C1.
What is the InChIKey of 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is DYWOZHYUOHFODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-14(16,6-2)10-15-12-7-8-17-13(9-12)11(3)4/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol?
3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65105820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).