2-ethylcycloocta-1,3,5-trien-1-amine

C10H15N — CID 67050807

IUPAC2-ethylcycloocta-1,3,5-trien-1-amine
SMILESCCC1=C(N)CCC=CC=C1
InChIInChI=1S/C10H15N/c1-2-9-7-5-3-4-6-8-10(9)11/h3-5,7H,2,6,8,11H2,1H3
InChIKeyWNSDNAGLZQVXLA-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.52
Rot. Bonds1

About 2-ethylcycloocta-1,3,5-trien-1-amine

2-ethylcycloocta-1,3,5-trien-1-amine (PubChem CID 67050807) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-ethylcycloocta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name2-ethylcycloocta-1,3,5-trien-1-amine
PubChem CID67050807
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-ethylcycloocta-1,3,5-trien-1-amine
SMILESCCC1=C(N)CCC=CC=C1
InChIInChI=1S/C10H15N/c1-2-9-7-5-3-4-6-8-10(9)11/h3-5,7H,2,6,8,11H2,1H3
InChIKeyWNSDNAGLZQVXLA-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylcycloocta-1,3,5-trien-1-amine
CID 67050786
3-ethyl-2-methylcyclonona-2,4,6-trien-1-one
CID 123616852
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
2-ethylcyclohexa-1,5-dien-1-amine
CID 143824141
(5Z,7Z)-4-methyl-9,10-dihydrobenzo[8]annulen-1-amine
CID 156576675
2-ethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)cyclohepta-1,3,5-triene
CID 162362812
cyclohepta-1,3,5-triene-1,2-diamine
CID 163640522
2-N-butylcyclohexa-1,3-diene-1,2-diamine
CID 147582291
2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine
CID 58219752
3,4-diethylcyclohexa-1,3-dien-1-amine
CID 143938092
2-chlorocyclohexa-1,3-dien-1-amine
CID 67694801
CID 6914078
CID 6914078

Frequently Asked Questions

What is the IUPAC name of 2-ethylcycloocta-1,3,5-trien-1-amine?
The IUPAC name of 2-ethylcycloocta-1,3,5-trien-1-amine (CID 67050807) is 2-ethylcycloocta-1,3,5-trien-1-amine.
What is the SMILES notation for 2-ethylcycloocta-1,3,5-trien-1-amine?
The canonical SMILES for 2-ethylcycloocta-1,3,5-trien-1-amine is CCC1=C(N)CCC=CC=C1.
What is the InChIKey of 2-ethylcycloocta-1,3,5-trien-1-amine?
The InChIKey is WNSDNAGLZQVXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-9-7-5-3-4-6-8-10(9)11/h3-5,7H,2,6,8,11H2,1H3.
What are the key properties of 2-ethylcycloocta-1,3,5-trien-1-amine?
2-ethylcycloocta-1,3,5-trien-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcycloocta-1,3,5-trien-1-amine is sourced from PubChem (CID 67050807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).