6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol

C9H16N2O2 — CID 66697454

IUPAC6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol
SMILESNC1(CNCCO)C=CC=CC1O
InChIInChI=1S/C9H16N2O2/c10-9(7-11-5-6-12)4-2-1-3-8(9)13/h1-4,8,11-13H,5-7,10H2
InChIKeyUVNJVYMTAMQOND-UHFFFAOYSA-N
MW184.24 g/mol
LogP-1.25
Rot. Bonds4

About 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol

6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol (PubChem CID 66697454) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol
PubChem CID66697454
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol
SMILESNC1(CNCCO)C=CC=CC1O
InChIInChI=1S/C9H16N2O2/c10-9(7-11-5-6-12)4-2-1-3-8(9)13/h1-4,8,11-13H,5-7,10H2
InChIKeyUVNJVYMTAMQOND-UHFFFAOYSA-N
XLogP-1.25
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol (CID 66697454) is 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol is NC1(CNCCO)C=CC=CC1O.
What is the InChIKey of 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is UVNJVYMTAMQOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(7-11-5-6-12)4-2-1-3-8(9)13/h1-4,8,11-13H,5-7,10H2.
What are the key properties of 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol?
6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 184.24 g/mol, XLogP of -1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-[(2-hydroxyethylamino)methyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 66697454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).