N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine

C11H21N3 — CID 160540134

IUPACN-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine
SMILESCCN(CC)N(N)C1(CC)C=CC=C1
InChIInChI=1S/C11H21N3/c1-4-11(9-7-8-10-11)14(12)13(5-2)6-3/h7-10H,4-6,12H2,1-3H3
InChIKeyXMEIMYIQOPDFOG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.69
Rot. Bonds5

About N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine

N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine (PubChem CID 160540134) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine
PubChem CID160540134
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine
SMILESCCN(CC)N(N)C1(CC)C=CC=C1
InChIInChI=1S/C11H21N3/c1-4-11(9-7-8-10-11)14(12)13(5-2)6-3/h7-10H,4-6,12H2,1-3H3
InChIKeyXMEIMYIQOPDFOG-UHFFFAOYSA-N
XLogP1.69
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-Ethenylhept-3-en-2-yl)-1-methylhydrazine
CID 123250175
1-[(Z)-5,5-dimethyl-4-methylidenehex-2-enyl]-1-methylhydrazine
CID 146318277
1-(2,4-Dimethylpenta-1,3-dienyl)-1-(1-ethylcyclopenta-2,4-dien-1-yl)hydrazine
CID 151664684
1-methyl-1-[(2Z)-3-propan-2-ylpenta-2,4-dienyl]hydrazine
CID 154986405
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-enyl]hydrazine
CID 155262112
N-amino-N-(dimethylamino)-1-methylcyclopenta-2,4-dien-1-amine;hydrazine
CID 159138819
N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine;hydrazine
CID 160540133
1-(6,6-Dimethylcyclohexa-2,4-dien-1-yl)-1-ethylhydrazine
CID 160907575
N-amino-N-(dimethylamino)-1-ethylcyclopenta-2,4-dien-1-amine;hydrazine
CID 161056183
N-amino-N-(diethylamino)cyclopenta-2,4-dien-1-amine;hydrazine
CID 161675159
N-amino-N-(diethylamino)-1-methylcyclopenta-2,4-dien-1-amine;hydrazine
CID 162226052
3-[(1Z)-buta-1,3-dienyl]-4-methyl-2,5-dihydropyrrol-1-amine
CID 166728986

Frequently Asked Questions

What is the IUPAC name of N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine?
The IUPAC name of N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine (CID 160540134) is N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine.
What is the SMILES notation for N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine?
The canonical SMILES for N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine is CCN(CC)N(N)C1(CC)C=CC=C1.
What is the InChIKey of N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine?
The InChIKey is XMEIMYIQOPDFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-11(9-7-8-10-11)14(12)13(5-2)6-3/h7-10H,4-6,12H2,1-3H3.
What are the key properties of N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine?
N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-(diethylamino)-1-ethylcyclopenta-2,4-dien-1-amine is sourced from PubChem (CID 160540134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).