[6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol

C10H15NO — CID 143093980

IUPAC[6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol
SMILESNCCC1=CC(CO)=CC=CC1
InChIInChI=1S/C10H15NO/c11-6-5-9-3-1-2-4-10(7-9)8-12/h1-2,4,7,12H,3,5-6,8,11H2
InChIKeyIJRGOCARJCPSAA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.14
Rot. Bonds3

About [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol

[6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol (PubChem CID 143093980) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol.

Molecular Properties

Compound Name[6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol
PubChem CID143093980
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name[6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol
SMILESNCCC1=CC(CO)=CC=CC1
InChIInChI=1S/C10H15NO/c11-6-5-9-3-1-2-4-10(7-9)8-12/h1-2,4,7,12H,3,5-6,8,11H2
InChIKeyIJRGOCARJCPSAA-UHFFFAOYSA-N
XLogP1.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-(cyclooctatetraenyl)ethanol;hydrochloride
CID 90677521
2-Amino-1-cycloocta-1,7-dienyl-ethanol
CID 44272101
2-Amino-1-cyclooctatetraenyl-ethanol
CID 44272309
(5Z)-1-amino-7-fluoro-4-methylideneocta-5,7-dien-3-ol
CID 176967958
2-Amino-1-(cyclooctatetraenyl)ethanol;hydrochloride
CID 172027109
2-Amino-1-(cyclooctatetraenyl)ethanol
CID 172027110
CID 88890727
CID 88890727
(2E,4E)-6-amino-2-ethenyl-5-methylocta-2,4-dien-1-ol
CID 89098989
1-Amino-4-ethenylhepta-4,6-dien-3-ol
CID 123962499
(Z,2S,3E)-1-amino-3-ethylidenehex-4-en-2-ol
CID 126667745
(3E,5Z)-1-amino-3-ethenylocta-3,5,7-trien-2-ol
CID 130295711
(2R,3E)-1-amino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol;ethane
CID 141831870

Frequently Asked Questions

What is the IUPAC name of [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol?
The IUPAC name of [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol (CID 143093980) is [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol.
What is the SMILES notation for [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol?
The canonical SMILES for [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol is NCCC1=CC(CO)=CC=CC1.
What is the InChIKey of [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol?
The InChIKey is IJRGOCARJCPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-6-5-9-3-1-2-4-10(7-9)8-12/h1-2,4,7,12H,3,5-6,8,11H2.
What are the key properties of [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol?
[6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol has a molecular weight of 165.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-aminoethyl)cyclohepta-1,3,6-trien-1-yl]methanol is sourced from PubChem (CID 143093980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).