(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine

C10H17NO — CID 89418548

IUPAC(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCCOC1=C(C)C=C(CN)CC1
InChIInChI=1S/C10H17NO/c1-3-12-10-5-4-9(7-11)6-8(10)2/h6H,3-5,7,11H2,1-2H3
InChIKeyANARUWLOVLZCGV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.98
Rot. Bonds3

About (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine

(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 89418548) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
PubChem CID89418548
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCCOC1=C(C)C=C(CN)CC1
InChIInChI=1S/C10H17NO/c1-3-12-10-5-4-9(7-11)6-8(10)2/h6H,3-5,7,11H2,1-2H3
InChIKeyANARUWLOVLZCGV-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine (CID 89418548) is (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine is CCOC1=C(C)C=C(CN)CC1.
What is the InChIKey of (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is ANARUWLOVLZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-12-10-5-4-9(7-11)6-8(10)2/h6H,3-5,7,11H2,1-2H3.
What are the key properties of (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine?
(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 167.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 89418548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).