(5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine

C13H17NO — CID 70334331

IUPAC(5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCCC(OC2=CC=CCC2)=C1
InChIInChI=1S/C13H17NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-2,5-6,9H,3-4,7-8,10,14H2
InChIKeyBEQGAPLQMQIJOS-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.80
Rot. Bonds3

About (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine

(5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 70334331) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine
PubChem CID70334331
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine
SMILESNCC1=CCCC(OC2=CC=CCC2)=C1
InChIInChI=1S/C13H17NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-2,5-6,9H,3-4,7-8,10,14H2
InChIKeyBEQGAPLQMQIJOS-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine (CID 70334331) is (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine is NCC1=CCCC(OC2=CC=CCC2)=C1.
What is the InChIKey of (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is BEQGAPLQMQIJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-2,5-6,9H,3-4,7-8,10,14H2.
What are the key properties of (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine?
(5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 203.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 70334331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).