2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol

C8H18N2O2 — CID 106822123

IUPAC2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol
SMILESCOC1CC(CN)(NCCO)C1
InChIInChI=1S/C8H18N2O2/c1-12-7-4-8(5-7,6-9)10-2-3-11/h7,10-11H,2-6,9H2,1H3
InChIKeyDGAPCQQNULSJPA-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.93
Rot. Bonds5

About 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol

2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol (PubChem CID 106822123) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol
PubChem CID106822123
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol
SMILESCOC1CC(CN)(NCCO)C1
InChIInChI=1S/C8H18N2O2/c1-12-7-4-8(5-7,6-9)10-2-3-11/h7,10-11H,2-6,9H2,1H3
InChIKeyDGAPCQQNULSJPA-UHFFFAOYSA-N
XLogP-0.93
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
CID 106841176
1-(aminomethyl)-3-methoxy-N-propylcyclohexan-1-amine
CID 106872430
1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
CID 106872752
ethyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824510
methyl 2-[3-methoxy-1-(propylamino)cyclobutyl]acetate
CID 106824514
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956
2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 65379525
2-[[1-(aminomethyl)-2-methylcyclobutyl]amino]ethanol
CID 130554597
2-[[4-(aminomethyl)-1,1-dioxothian-4-yl]amino]ethanol
CID 65382561
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329
ethyl 2-[1-(ethylamino)-3-methoxycyclobutyl]acetate
CID 106824504
ethane;2-[(1-ethylcyclopropyl)amino]ethanol
CID 177193430

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol?
The IUPAC name of 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol (CID 106822123) is 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol.
What is the SMILES notation for 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol?
The canonical SMILES for 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol is COC1CC(CN)(NCCO)C1.
What is the InChIKey of 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol?
The InChIKey is DGAPCQQNULSJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-12-7-4-8(5-7,6-9)10-2-3-11/h7,10-11H,2-6,9H2,1H3.
What are the key properties of 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol?
2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol has a molecular weight of 174.24 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-3-methoxycyclobutyl]amino]ethanol is sourced from PubChem (CID 106822123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).