3-ethylcyclopenta-1,4-dien-1-amine

C7H11N — CID 148963944

IUPAC3-ethylcyclopenta-1,4-dien-1-amine
SMILESCCC1C=CC(N)=C1
InChIInChI=1S/C7H11N/c1-2-6-3-4-7(8)5-6/h3-6H,2,8H2,1H3
InChIKeyPSJDOHOCWMLUQJ-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.42
Rot. Bonds1

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

3-ethylcyclopenta-1,4-dien-1-amine (PubChem CID 148963944) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-ethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name3-ethylcyclopenta-1,4-dien-1-amine
PubChem CID148963944
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-ethylcyclopenta-1,4-dien-1-amine
SMILESCCC1C=CC(N)=C1
InChIInChI=1S/C7H11N/c1-2-6-3-4-7(8)5-6/h3-6H,2,8H2,1H3
InChIKeyPSJDOHOCWMLUQJ-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 164736851
11-ethylbicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
CID 91364988
6-ethyl-2-methyl-6H-indole
CID 151606870
9-ethyl-4a,9a-dihydrocarbazol-3-amine
CID 58886987
5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869
2-ethyl-2H-pyrrol-4-amine
CID 170762848
4-ethoxycyclohexa-1,5-dien-1-amine
CID 67628843
potassium;5-ethylcyclopenta-1,3-diene;hydride
CID 174542607
4-cyclohexyl-3-methylcyclohexa-1,5-dien-1-amine
CID 146492465
1-methyl-3a,7a-dihydroindazol-5-amine
CID 112711870
4-amino-6-methylcyclohexa-2,4-dien-1-one
CID 150471908
2-ethyl-5-(2-methylpropyl)cyclopenta-1,3-diene
CID 159430648

Frequently Asked Questions

What is the IUPAC name of 3-ethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of 3-ethylcyclopenta-1,4-dien-1-amine (CID 148963944) is 3-ethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 3-ethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for 3-ethylcyclopenta-1,4-dien-1-amine is CCC1C=CC(N)=C1.
What is the InChIKey of 3-ethylcyclopenta-1,4-dien-1-amine?
The InChIKey is PSJDOHOCWMLUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-6-3-4-7(8)5-6/h3-6H,2,8H2,1H3.
What are the key properties of 3-ethylcyclopenta-1,4-dien-1-amine?
3-ethylcyclopenta-1,4-dien-1-amine has a molecular weight of 109.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 148963944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).