5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol

C10H15NO — CID 143497776

IUPAC5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol
SMILESCC(N)CC1=CCC=C(O)C=C1
InChIInChI=1S/C10H15NO/c1-8(11)7-9-3-2-4-10(12)6-5-9/h3-6,8,12H,2,7,11H2,1H3
InChIKeyCCVGIUCOEJVKDZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.05
Rot. Bonds2

About 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol

5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol (PubChem CID 143497776) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol
PubChem CID143497776
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol
SMILESCC(N)CC1=CCC=C(O)C=C1
InChIInChI=1S/C10H15NO/c1-8(11)7-9-3-2-4-10(12)6-5-9/h3-6,8,12H,2,7,11H2,1H3
InChIKeyCCVGIUCOEJVKDZ-UHFFFAOYSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol?
The IUPAC name of 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol (CID 143497776) is 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol is CC(N)CC1=CCC=C(O)C=C1.
What is the InChIKey of 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol?
The InChIKey is CCVGIUCOEJVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(11)7-9-3-2-4-10(12)6-5-9/h3-6,8,12H,2,7,11H2,1H3.
What are the key properties of 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol?
5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)cyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 143497776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).