2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol

C9H16N2O — CID 67043350

IUPAC2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1(NCCO)C=CC=CC1N
InChIInChI=1S/C9H16N2O/c1-9(11-6-7-12)5-3-2-4-8(9)10/h2-5,8,11-12H,6-7,10H2,1H3
InChIKeyDQFBIQKGZDUFOH-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.22
Rot. Bonds3

About 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol

2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 67043350) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID67043350
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1(NCCO)C=CC=CC1N
InChIInChI=1S/C9H16N2O/c1-9(11-6-7-12)5-3-2-4-8(9)10/h2-5,8,11-12H,6-7,10H2,1H3
InChIKeyDQFBIQKGZDUFOH-UHFFFAOYSA-N
XLogP-0.22
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol (CID 67043350) is 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol is CC1(NCCO)C=CC=CC1N.
What is the InChIKey of 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is DQFBIQKGZDUFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(11-6-7-12)5-3-2-4-8(9)10/h2-5,8,11-12H,6-7,10H2,1H3.
What are the key properties of 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol has a molecular weight of 168.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-methylcyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 67043350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).