4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol

C12H26N2O2 — CID 107442484

IUPAC4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol
SMILESCC(C)C(CN)CNCC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-10(2)11(7-13)8-14-9-12(15)3-5-16-6-4-12/h10-11,14-15H,3-9,13H2,1-2H3
InChIKeyWAXPAEXZVNOSHP-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.35
Rot. Bonds6

About 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol

4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol (PubChem CID 107442484) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol
PubChem CID107442484
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol
SMILESCC(C)C(CN)CNCC1(O)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-10(2)11(7-13)8-14-9-12(15)3-5-16-6-4-12/h10-11,14-15H,3-9,13H2,1-2H3
InChIKeyWAXPAEXZVNOSHP-UHFFFAOYSA-N
XLogP0.35
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol (CID 107442484) is 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol is CC(C)C(CN)CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol?
The InChIKey is WAXPAEXZVNOSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)11(7-13)8-14-9-12(15)3-5-16-6-4-12/h10-11,14-15H,3-9,13H2,1-2H3.
What are the key properties of 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol?
4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol has a molecular weight of 230.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 107442484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).