2-amino-1-(4-aminocyclohexen-1-yl)ethanol

C8H16N2O — CID 89153925

IUPAC2-amino-1-(4-aminocyclohexen-1-yl)ethanol
SMILESNCC(O)C1=CCC(N)CC1
InChIInChI=1S/C8H16N2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1,7-8,11H,2-5,9-10H2
InChIKeyISPKESXCDFICGU-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.26
Rot. Bonds2

About 2-amino-1-(4-aminocyclohexen-1-yl)ethanol

2-amino-1-(4-aminocyclohexen-1-yl)ethanol (PubChem CID 89153925) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-1-(4-aminocyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-aminocyclohexen-1-yl)ethanol
PubChem CID89153925
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-1-(4-aminocyclohexen-1-yl)ethanol
SMILESNCC(O)C1=CCC(N)CC1
InChIInChI=1S/C8H16N2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1,7-8,11H,2-5,9-10H2
InChIKeyISPKESXCDFICGU-UHFFFAOYSA-N
XLogP-0.26
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-aminocyclohexen-1-yl)ethanol?
The IUPAC name of 2-amino-1-(4-aminocyclohexen-1-yl)ethanol (CID 89153925) is 2-amino-1-(4-aminocyclohexen-1-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-aminocyclohexen-1-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-aminocyclohexen-1-yl)ethanol is NCC(O)C1=CCC(N)CC1.
What is the InChIKey of 2-amino-1-(4-aminocyclohexen-1-yl)ethanol?
The InChIKey is ISPKESXCDFICGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1,7-8,11H,2-5,9-10H2.
What are the key properties of 2-amino-1-(4-aminocyclohexen-1-yl)ethanol?
2-amino-1-(4-aminocyclohexen-1-yl)ethanol has a molecular weight of 156.23 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-aminocyclohexen-1-yl)ethanol is sourced from PubChem (CID 89153925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).