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

C12H26N2O2 — CID 106100238

IUPAC3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCC(C)C(CN)CNCC1(O)CCOC1C
InChIInChI=1S/C12H26N2O2/c1-9(2)11(6-13)7-14-8-12(15)4-5-16-10(12)3/h9-11,14-15H,4-8,13H2,1-3H3
InChIKeyIRIDVNKKXLFPAN-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.35
Rot. Bonds6

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

3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106100238) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol
PubChem CID106100238
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol
SMILESCC(C)C(CN)CNCC1(O)CCOC1C
InChIInChI=1S/C12H26N2O2/c1-9(2)11(6-13)7-14-8-12(15)4-5-16-10(12)3/h9-11,14-15H,4-8,13H2,1-3H3
InChIKeyIRIDVNKKXLFPAN-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 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol (CID 106100238) is 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol is CC(C)C(CN)CNCC1(O)CCOC1C.
What is the InChIKey of 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is IRIDVNKKXLFPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)11(6-13)7-14-8-12(15)4-5-16-10(12)3/h9-11,14-15H,4-8,13H2,1-3H3.
What are the key properties of 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol?
3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-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 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).