4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol

C9H13NO — CID 142109544

IUPAC4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol
SMILESNCCC1=CC=C(O)C=CC1
InChIInChI=1S/C9H13NO/c10-7-6-8-2-1-3-9(11)5-4-8/h1,3-5,11H,2,6-7,10H2
InChIKeyHEAAUUABLJSYBJ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.66
Rot. Bonds2

About 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol

4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol (PubChem CID 142109544) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol
PubChem CID142109544
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol
SMILESNCCC1=CC=C(O)C=CC1
InChIInChI=1S/C9H13NO/c10-7-6-8-2-1-3-9(11)5-4-8/h1,3-5,11H,2,6-7,10H2
InChIKeyHEAAUUABLJSYBJ-UHFFFAOYSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-4-fluorocyclohexa-1,5-dien-1-ol
CID 167045485
[1h]Tyramine
CID 129679817
(2Z,4Z,7Z)-6-(2-aminoethyl)-7-methyldeca-2,4,7-trien-4-ol
CID 88964788
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
(3Z,5E)-8-amino-6-methylocta-1,3,5-triene-3,4-diol
CID 89679060
(3E)-7-amino-4-methylhepta-1,3-dien-2-ol
CID 89719801
(3E)-7-amino-5-methylidenehepta-1,3-diene-2,3-diol
CID 89981515
(4R)-4-(aminomethyl)cyclohepta-1,6-dien-1-ol
CID 90148979
(3E,5Z)-9-aminonona-1,3,5-trien-4-ol
CID 90222187
5-(Aminomethyl)cyclohepta-1,3,6-triene-1,3-diol
CID 134485037
5-[2-(Methylamino)ethyl]cyclohepta-1,4,6-trien-1-ol
CID 142123446

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol (CID 142109544) is 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol is NCCC1=CC=C(O)C=CC1.
What is the InChIKey of 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol?
The InChIKey is HEAAUUABLJSYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-7-6-8-2-1-3-9(11)5-4-8/h1,3-5,11H,2,6-7,10H2.
What are the key properties of 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol?
4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 142109544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).