6-(aminomethyl)cyclohexa-1,5-dien-1-ol

C7H11NO — CID 89044123

IUPAC6-(aminomethyl)cyclohexa-1,5-dien-1-ol
SMILESNCC1=CCCC=C1O
InChIInChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h3-4,9H,1-2,5,8H2
InChIKeyAPNXFQWKIGRIDB-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.11
Rot. Bonds1

About 6-(aminomethyl)cyclohexa-1,5-dien-1-ol

6-(aminomethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 89044123) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-(aminomethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-(aminomethyl)cyclohexa-1,5-dien-1-ol
PubChem CID89044123
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-(aminomethyl)cyclohexa-1,5-dien-1-ol
SMILESNCC1=CCCC=C1O
InChIInChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h3-4,9H,1-2,5,8H2
InChIKeyAPNXFQWKIGRIDB-UHFFFAOYSA-N
XLogP1.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-(aminomethyl)cyclohexa-1,5-dien-1-ol (CID 89044123) is 6-(aminomethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-(aminomethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-(aminomethyl)cyclohexa-1,5-dien-1-ol is NCC1=CCCC=C1O.
What is the InChIKey of 6-(aminomethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is APNXFQWKIGRIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-3-1-2-4-7(6)9/h3-4,9H,1-2,5,8H2.
What are the key properties of 6-(aminomethyl)cyclohexa-1,5-dien-1-ol?
6-(aminomethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89044123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).