5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol

C9H15NO — CID 130282839

IUPAC5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol
SMILESNCCCC1C=CC=C(O)C1
InChIInChI=1S/C9H15NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,8,11H,2,4,6-7,10H2
InChIKeyMKPWDMJDFYIXIN-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.74
Rot. Bonds3

About 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol

5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol (PubChem CID 130282839) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol
PubChem CID130282839
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol
SMILESNCCCC1C=CC=C(O)C1
InChIInChI=1S/C9H15NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,8,11H,2,4,6-7,10H2
InChIKeyMKPWDMJDFYIXIN-UHFFFAOYSA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol (CID 130282839) is 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol is NCCCC1C=CC=C(O)C1.
What is the InChIKey of 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is MKPWDMJDFYIXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,8,11H,2,4,6-7,10H2.
What are the key properties of 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol?
5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 153.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 130282839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).