3-(aminomethyl)cyclohexa-1,3-dien-1-ol

C7H11NO — CID 142460282

IUPAC3-(aminomethyl)cyclohexa-1,3-dien-1-ol
SMILESNCC1=CCCC(O)=C1
InChIInChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h2,4,9H,1,3,5,8H2
InChIKeyZFFLVTWKKCMACW-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.11
Rot. Bonds1

About 3-(aminomethyl)cyclohexa-1,3-dien-1-ol

3-(aminomethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 142460282) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-(aminomethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)cyclohexa-1,3-dien-1-ol
PubChem CID142460282
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-(aminomethyl)cyclohexa-1,3-dien-1-ol
SMILESNCC1=CCCC(O)=C1
InChIInChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h2,4,9H,1,3,5,8H2
InChIKeyZFFLVTWKKCMACW-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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Related Compounds

6-Amino-3-fluoro-5-methylidenecyclohexa-1,3-dien-1-ol
CID 153864589
6-(Aminomethyl)-2-fluorocyclohexa-1,5-dien-1-ol
CID 143689296
6-Aminocyclohexa-1,3-dien-1-ol
CID 20028871
5-Aminocyclohexa-1,3-dien-1-ol
CID 23328709
6-(Aminomethylidene)cyclohexa-1,3-dien-1-ol
CID 67159571
(2E,4Z)-1-amino-4-methylhexa-2,4-dien-2-ol
CID 88992526
6-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 89044123
3-(Methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 143349340
2-(2-Aminoethyl)cyclohexa-1,3-dien-1-ol
CID 153221096
(5S)-5-aminocyclohexa-1,3-dien-1-ol
CID 154528666
(6-Amino-3-methylcyclohexa-1,3-dien-1-yl)oxidanium
CID 163572064
(5S)-5-amino-2-methylcyclohexa-1,3-dien-1-ol
CID 164080150

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-(aminomethyl)cyclohexa-1,3-dien-1-ol (CID 142460282) is 3-(aminomethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-(aminomethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-(aminomethyl)cyclohexa-1,3-dien-1-ol is NCC1=CCCC(O)=C1.
What is the InChIKey of 3-(aminomethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is ZFFLVTWKKCMACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h2,4,9H,1,3,5,8H2.
What are the key properties of 3-(aminomethyl)cyclohexa-1,3-dien-1-ol?
3-(aminomethyl)cyclohexa-1,3-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 3-(aminomethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142460282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).