(5-ethoxycyclohexa-1,5-dien-1-yl)methanamine

C9H15NO — CID 154991737

IUPAC(5-ethoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCCOC1=CC(CN)=CCC1
InChIInChI=1S/C9H15NO/c1-2-11-9-5-3-4-8(6-9)7-10/h4,6H,2-3,5,7,10H2,1H3
InChIKeyFNSFXHBZLVXPCS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.59
Rot. Bonds3

About (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine

(5-ethoxycyclohexa-1,5-dien-1-yl)methanamine (PubChem CID 154991737) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-ethoxycyclohexa-1,5-dien-1-yl)methanamine
PubChem CID154991737
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5-ethoxycyclohexa-1,5-dien-1-yl)methanamine
SMILESCCOC1=CC(CN)=CCC1
InChIInChI=1S/C9H15NO/c1-2-11-9-5-3-4-8(6-9)7-10/h4,6H,2-3,5,7,10H2,1H3
InChIKeyFNSFXHBZLVXPCS-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine?
The IUPAC name of (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine (CID 154991737) is (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine.
What is the SMILES notation for (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine?
The canonical SMILES for (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine is CCOC1=CC(CN)=CCC1.
What is the InChIKey of (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine?
The InChIKey is FNSFXHBZLVXPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-11-9-5-3-4-8(6-9)7-10/h4,6H,2-3,5,7,10H2,1H3.
What are the key properties of (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine?
(5-ethoxycyclohexa-1,5-dien-1-yl)methanamine has a molecular weight of 153.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxycyclohexa-1,5-dien-1-yl)methanamine is sourced from PubChem (CID 154991737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).