(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine

C15H21N — CID 174888236

IUPAC(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
SMILESCCC1(c2ccccc2)C=CC=CC1.CN
InChIInChI=1S/C14H16.CH5N/c1-2-14(11-7-4-8-12-14)13-9-5-3-6-10-13;1-2/h3-11H,2,12H2,1H3;2H2,1H3
InChIKeyOYDGYPLIMGONJA-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.43
Rot. Bonds2

About (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine

(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine (PubChem CID 174888236) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine.

Molecular Properties

Compound Name(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
PubChem CID174888236
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
SMILESCCC1(c2ccccc2)C=CC=CC1.CN
InChIInChI=1S/C14H16.CH5N/c1-2-14(11-7-4-8-12-14)13-9-5-3-6-10-13;1-2/h3-11H,2,12H2,1H3;2H2,1H3
InChIKeyOYDGYPLIMGONJA-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine?
The IUPAC name of (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine (CID 174888236) is (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine.
What is the SMILES notation for (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine?
The canonical SMILES for (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine is CCC1(c2ccccc2)C=CC=CC1.CN.
What is the InChIKey of (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine?
The InChIKey is OYDGYPLIMGONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.CH5N/c1-2-14(11-7-4-8-12-14)13-9-5-3-6-10-13;1-2/h3-11H,2,12H2,1H3;2H2,1H3.
What are the key properties of (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine?
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine has a molecular weight of 215.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine is sourced from PubChem (CID 174888236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).