2-amino-1-(cyclohepten-1-yl)ethanol

C9H17NO — CID 106651473

IUPAC2-amino-1-(cyclohepten-1-yl)ethanol
SMILESNCC(O)C1=CCCCCC1
InChIInChI=1S/C9H17NO/c10-7-9(11)8-5-3-1-2-4-6-8/h5,9,11H,1-4,6-7,10H2
InChIKeyQIGXRNBZHLNCMT-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-1-(cyclohepten-1-yl)ethanol

2-amino-1-(cyclohepten-1-yl)ethanol (PubChem CID 106651473) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-amino-1-(cyclohepten-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(cyclohepten-1-yl)ethanol
PubChem CID106651473
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-amino-1-(cyclohepten-1-yl)ethanol
SMILESNCC(O)C1=CCCCCC1
InChIInChI=1S/C9H17NO/c10-7-9(11)8-5-3-1-2-4-6-8/h5,9,11H,1-4,6-7,10H2
InChIKeyQIGXRNBZHLNCMT-UHFFFAOYSA-N
XLogP1.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]ethanol;hydrochloride
CID 90677522
2-Amino-1-cycloocta-1,5-dienyl-ethanol
CID 44272142
2-Amino-1-cyclooct-1-enyl-ethanol
CID 44272154
2-Amino-1-(cycloocten-1-yl)ethanol
CID 54016638
2-Amino-1-(cyclopenten-1-yl)propane-1,3-diol
CID 23088328
[(E)-11-amino-2,4,10-trihydroxyundec-8-enyl]azanium
CID 58468438
[(8E)-2,4,10-trihydroxyundeca-8,10-dienyl]azanium
CID 58468451
(1R,2S)-2-amino-1-(cycloocten-1-yl)propane-1,3-diol
CID 69703619
(1R,2S)-2-amino-1-(cyclopenten-1-yl)propane-1,3-diol
CID 69704193
(1R,2S)-2-amino-1-[(1E)-cycloocten-1-yl]propane-1,3-diol
CID 87956472
(1R,2S)-2-amino-1-[(1Z)-cycloocten-1-yl]propane-1,3-diol
CID 87956474
2-Amino-1-(4-aminocyclohexen-1-yl)ethanol
CID 89153925

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclohepten-1-yl)ethanol?
The IUPAC name of 2-amino-1-(cyclohepten-1-yl)ethanol (CID 106651473) is 2-amino-1-(cyclohepten-1-yl)ethanol.
What is the SMILES notation for 2-amino-1-(cyclohepten-1-yl)ethanol?
The canonical SMILES for 2-amino-1-(cyclohepten-1-yl)ethanol is NCC(O)C1=CCCCCC1.
What is the InChIKey of 2-amino-1-(cyclohepten-1-yl)ethanol?
The InChIKey is QIGXRNBZHLNCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-7-9(11)8-5-3-1-2-4-6-8/h5,9,11H,1-4,6-7,10H2.
What are the key properties of 2-amino-1-(cyclohepten-1-yl)ethanol?
2-amino-1-(cyclohepten-1-yl)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclohepten-1-yl)ethanol is sourced from PubChem (CID 106651473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).