2-ethylcyclohexa-1,5-dien-1-amine

C8H13N — CID 143824141

IUPAC2-ethylcyclohexa-1,5-dien-1-amine
SMILESCCC1=C(N)C=CCC1
InChIInChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h4,6H,2-3,5,9H2,1H3
InChIKeyHGEJHDDROBMIIW-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.96
Rot. Bonds1

About 2-ethylcyclohexa-1,5-dien-1-amine

2-ethylcyclohexa-1,5-dien-1-amine (PubChem CID 143824141) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2-ethylcyclohexa-1,5-dien-1-amine
PubChem CID143824141
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethylcyclohexa-1,5-dien-1-amine
SMILESCCC1=C(N)C=CCC1
InChIInChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h4,6H,2-3,5,9H2,1H3
InChIKeyHGEJHDDROBMIIW-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-ethylcyclohexa-1,3-diene
CID 66608212
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
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2-(difluoromethyl)-1-ethylcyclohexa-1,3-diene
CID 178056899
4-(2-ethylcyclohexa-1,5-dien-1-yl)but-1-ene-2-thiol
CID 167246313
(2-ethylcyclohexa-1,5-dien-1-yl)sulfonylbenzene
CID 68911382
2-ethylcycloocta-1,3,5-trien-1-amine
CID 67050807
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
2-propan-2-ylsulfanylcyclohexa-1,5-dien-1-amine
CID 89423582
N-(2-aminocyclohexa-1,3-dien-1-yl)methanesulfonamide
CID 170284504
1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide
CID 142335260
6-ethyl-2-(2-ethylcyclohexa-1,5-dien-1-yl)-4-methylidene-1H-naphthalene
CID 174085520
2-(2-methylphenyl)cyclohexa-1,5-dien-1-amine
CID 167158849

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 2-ethylcyclohexa-1,5-dien-1-amine (CID 143824141) is 2-ethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2-ethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2-ethylcyclohexa-1,5-dien-1-amine is CCC1=C(N)C=CCC1.
What is the InChIKey of 2-ethylcyclohexa-1,5-dien-1-amine?
The InChIKey is HGEJHDDROBMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-7-5-3-4-6-8(7)9/h4,6H,2-3,5,9H2,1H3.
What are the key properties of 2-ethylcyclohexa-1,5-dien-1-amine?
2-ethylcyclohexa-1,5-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143824141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).