2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol

C9H20N2O2 — CID 65381935

IUPAC2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol
SMILESNCC(NCCO)C1CCOCC1
InChIInChI=1S/C9H20N2O2/c10-7-9(11-3-4-12)8-1-5-13-6-2-8/h8-9,11-12H,1-7,10H2
InChIKeyAJFVVVRRHSRZGP-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.68
Rot. Bonds5

About 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol

2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol (PubChem CID 65381935) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol
PubChem CID65381935
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol
SMILESNCC(NCCO)C1CCOCC1
InChIInChI=1S/C9H20N2O2/c10-7-9(11-3-4-12)8-1-5-13-6-2-8/h8-9,11-12H,1-7,10H2
InChIKeyAJFVVVRRHSRZGP-UHFFFAOYSA-N
XLogP-0.68
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-but-3-ynyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116641090
N-cyclopentyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 65384575
4-amino-3-(oxan-4-yl)butan-1-ol
CID 66091202
2-[2-(diethylamino)ethylamino]-2-(oxan-4-yl)ethanol
CID 62392141
2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
CID 62391437
N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65382991
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
2-amino-1-(oxan-4-yl)ethanethiol
CID 116868702
2-fluoro-2-(oxan-4-yl)ethanamine
CID 112562633
6-[1-(oxolan-3-yl)propylamino]hexan-1-ol
CID 115906779
1-cyclopropyl-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65385048
N-[2-(dimethylamino)ethyl]-1-(oxan-3-yl)ethane-1,2-diamine
CID 65384373

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol (CID 65381935) is 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol is NCC(NCCO)C1CCOCC1.
What is the InChIKey of 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol?
The InChIKey is AJFVVVRRHSRZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c10-7-9(11-3-4-12)8-1-5-13-6-2-8/h8-9,11-12H,1-7,10H2.
What are the key properties of 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol?
2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol has a molecular weight of 188.27 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(oxan-4-yl)ethyl]amino]ethanol is sourced from PubChem (CID 65381935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).