2-ethylcyclohexa-2,4-dien-1-amine

C8H13N — CID 123185856

IUPAC2-ethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC=CCC1N
InChIInChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h3-5,8H,2,6,9H2,1H3
InChIKeyRHTJYBALNJZICF-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.61
Rot. Bonds1

About 2-ethylcyclohexa-2,4-dien-1-amine

2-ethylcyclohexa-2,4-dien-1-amine (PubChem CID 123185856) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-ethylcyclohexa-2,4-dien-1-amine
PubChem CID123185856
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethylcyclohexa-2,4-dien-1-amine
SMILESCCC1=CC=CCC1N
InChIInChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h3-5,8H,2,6,9H2,1H3
InChIKeyRHTJYBALNJZICF-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
1-ethyl-6-propylcyclohexa-1,3-diene
CID 91233524
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
2-[(2-ethylcyclohexa-2,4-dien-1-yl)methyl]-N',2-dimethylpentane-1,5-diamine
CID 163944725
6-ethylcyclohexa-1,3-dien-1-ol
CID 143062625
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
(6R)-1-methyl-6-propylcyclohexa-1,3-diene
CID 163989420
2,6-diethyl-6-methylcyclohexa-2,4-dien-1-amine
CID 70378917
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
6-chloro-1-(2-methylpropyl)cyclohexa-1,3-diene
CID 166712660
2-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-amine
CID 135218026

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-ethylcyclohexa-2,4-dien-1-amine (CID 123185856) is 2-ethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-ethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-ethylcyclohexa-2,4-dien-1-amine is CCC1=CC=CCC1N.
What is the InChIKey of 2-ethylcyclohexa-2,4-dien-1-amine?
The InChIKey is RHTJYBALNJZICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h3-5,8H,2,6,9H2,1H3.
What are the key properties of 2-ethylcyclohexa-2,4-dien-1-amine?
2-ethylcyclohexa-2,4-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123185856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).