2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol

C11H20N2O — CID 70541267

IUPAC2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
SMILESCCC1(N)C=CC(NCCO)=CC1C
InChIInChI=1S/C11H20N2O/c1-3-11(12)5-4-10(8-9(11)2)13-6-7-14/h4-5,8-9,13-14H,3,6-7,12H2,1-2H3
InChIKeyNPVSQSWBGZJMMC-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.77
Rot. Bonds4

About 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol

2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol (PubChem CID 70541267) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
PubChem CID70541267
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
SMILESCCC1(N)C=CC(NCCO)=CC1C
InChIInChI=1S/C11H20N2O/c1-3-11(12)5-4-10(8-9(11)2)13-6-7-14/h4-5,8-9,13-14H,3,6-7,12H2,1-2H3
InChIKeyNPVSQSWBGZJMMC-UHFFFAOYSA-N
XLogP0.77
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol (CID 70541267) is 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol is CCC1(N)C=CC(NCCO)=CC1C.
What is the InChIKey of 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol?
The InChIKey is NPVSQSWBGZJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-11(12)5-4-10(8-9(11)2)13-6-7-14/h4-5,8-9,13-14H,3,6-7,12H2,1-2H3.
What are the key properties of 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol?
2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol has a molecular weight of 196.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)amino]ethanol is sourced from PubChem (CID 70541267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).