3,4-diethoxycyclohexa-1,3-dien-1-amine

C10H17NO2 — CID 165130299

IUPAC3,4-diethoxycyclohexa-1,3-dien-1-amine
SMILESCCOC1=C(OCC)CCC(N)=C1
InChIInChI=1S/C10H17NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h7H,3-6,11H2,1-2H3
InChIKeyPJAAGLLFRLGGTC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.91
Rot. Bonds4

About 3,4-diethoxycyclohexa-1,3-dien-1-amine

3,4-diethoxycyclohexa-1,3-dien-1-amine (PubChem CID 165130299) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,4-diethoxycyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3,4-diethoxycyclohexa-1,3-dien-1-amine
PubChem CID165130299
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,4-diethoxycyclohexa-1,3-dien-1-amine
SMILESCCOC1=C(OCC)CCC(N)=C1
InChIInChI=1S/C10H17NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h7H,3-6,11H2,1-2H3
InChIKeyPJAAGLLFRLGGTC-UHFFFAOYSA-N
XLogP1.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
2-ethoxy-1,4-dimethylcyclohexa-1,3-diene
CID 142132328
3,4-diethylcyclohexa-1,3-dien-1-amine
CID 143938092
(2-ethoxycyclohexen-1-yl)hydrazine
CID 24869477
4-ethoxypyrimidine-2,5-diamine
CID 119098064
1-ethoxy-3-methylcyclohexa-1,3-diene
CID 21315553
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
3-ethoxypyrazin-2-amine
CID 13416935
3-ethoxy-6-methylpyrazin-2-amine
CID 154188354
2-amino-4-ethoxypyrimidine-5-carboxamide
CID 143881535
3,5-diethoxyaniline
CID 22605063
2-amino-3,6-diethoxybenzenethiol
CID 65053438

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxycyclohexa-1,3-dien-1-amine?
The IUPAC name of 3,4-diethoxycyclohexa-1,3-dien-1-amine (CID 165130299) is 3,4-diethoxycyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3,4-diethoxycyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3,4-diethoxycyclohexa-1,3-dien-1-amine is CCOC1=C(OCC)CCC(N)=C1.
What is the InChIKey of 3,4-diethoxycyclohexa-1,3-dien-1-amine?
The InChIKey is PJAAGLLFRLGGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-12-9-6-5-8(11)7-10(9)13-4-2/h7H,3-6,11H2,1-2H3.
What are the key properties of 3,4-diethoxycyclohexa-1,3-dien-1-amine?
3,4-diethoxycyclohexa-1,3-dien-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxycyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 165130299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).