2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol

C9H20N2O2 — CID 65382345

IUPAC2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol
SMILESCC1CC(CN)(NCCO)CCO1
InChIInChI=1S/C9H20N2O2/c1-8-6-9(7-10,2-5-13-8)11-3-4-12/h8,11-12H,2-7,10H2,1H3
InChIKeyODJWQZSWRLTMHN-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.54
Rot. Bonds4

About 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol

2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol (PubChem CID 65382345) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol
PubChem CID65382345
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol
SMILESCC1CC(CN)(NCCO)CCO1
InChIInChI=1S/C9H20N2O2/c1-8-6-9(7-10,2-5-13-8)11-3-4-12/h8,11-12H,2-7,10H2,1H3
InChIKeyODJWQZSWRLTMHN-UHFFFAOYSA-N
XLogP-0.54
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol (CID 65382345) is 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol is CC1CC(CN)(NCCO)CCO1.
What is the InChIKey of 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol?
The InChIKey is ODJWQZSWRLTMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8-6-9(7-10,2-5-13-8)11-3-4-12/h8,11-12H,2-7,10H2,1H3.
What are the key properties of 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol?
2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol has a molecular weight of 188.27 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]ethanol is sourced from PubChem (CID 65382345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).