2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol

C14H21NO — CID 123710438

IUPAC2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol
SMILESCC=CC1=CCCC=C1N(C=CC)CCO
InChIInChI=1S/C14H21NO/c1-3-7-13-8-5-6-9-14(13)15(10-4-2)11-12-16/h3-4,7-10,16H,5-6,11-12H2,1-2H3
InChIKeyFWZYFQLOFKDNRA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.99
Rot. Bonds5

About 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol

2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol (PubChem CID 123710438) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol
PubChem CID123710438
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol
SMILESCC=CC1=CCCC=C1N(C=CC)CCO
InChIInChI=1S/C14H21NO/c1-3-7-13-8-5-6-9-14(13)15(10-4-2)11-12-16/h3-4,7-10,16H,5-6,11-12H2,1-2H3
InChIKeyFWZYFQLOFKDNRA-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol (CID 123710438) is 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol is CC=CC1=CCCC=C1N(C=CC)CCO.
What is the InChIKey of 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol?
The InChIKey is FWZYFQLOFKDNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-7-13-8-5-6-9-14(13)15(10-4-2)11-12-16/h3-4,7-10,16H,5-6,11-12H2,1-2H3.
What are the key properties of 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol?
2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol is sourced from PubChem (CID 123710438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).