3,4-diethyl-2-iminocyclopent-3-en-1-amine

C9H16N2 — CID 91549426

IUPAC3,4-diethyl-2-iminocyclopent-3-en-1-amine
SMILES[H]/N=C1\C(CC)=C(CC)CC1N
InChIInChI=1S/C9H16N2/c1-3-6-5-8(10)9(11)7(6)4-2/h8,11H,3-5,10H2,1-2H3/b11-9+
InChIKeyYBQNKUVOXTVUSP-PKNBQFBNSA-N
MW152.24 g/mol
LogP1.85
Rot. Bonds2

About 3,4-diethyl-2-iminocyclopent-3-en-1-amine

3,4-diethyl-2-iminocyclopent-3-en-1-amine (PubChem CID 91549426) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,4-diethyl-2-iminocyclopent-3-en-1-amine.

Molecular Properties

Compound Name3,4-diethyl-2-iminocyclopent-3-en-1-amine
PubChem CID91549426
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3,4-diethyl-2-iminocyclopent-3-en-1-amine
SMILES[H]/N=C1\C(CC)=C(CC)CC1N
InChIInChI=1S/C9H16N2/c1-3-6-5-8(10)9(11)7(6)4-2/h8,11H,3-5,10H2,1-2H3/b11-9+
InChIKeyYBQNKUVOXTVUSP-PKNBQFBNSA-N
XLogP1.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,4-Diethyl-2-iminocyclooct-3-en-1-amine
CID 90798400
3,4-Diethyl-2-iminocyclohex-3-en-1-amine
CID 91108254
2-Imino-3,4-dimethylcyclooct-3-en-1-amine
CID 91118223
2-Imino-3,4-dimethylcyclohex-3-en-1-amine
CID 91179392
3-Cycloundecylidene-2-iminocycloundecan-1-amine
CID 91271732
2-Imino-3,4-dimethylcyclopent-3-en-1-amine
CID 91382058
1-(6-Iminocyclohexen-1-yl)ethanamine
CID 123374353
1-(3-Iminocyclohexen-1-yl)ethanamine
CID 123703939
(4Z)-4-ethylidene-3-iminodecan-5-amine
CID 132036830
(Z)-3-ethyl-5-imino-4-methylhex-3-en-2-amine
CID 139382959
4-Imino-4-(4-propylcyclohexa-1,3-dien-1-yl)butan-2-amine
CID 155353609
(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-6-amine
CID 159256136

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-2-iminocyclopent-3-en-1-amine?
The IUPAC name of 3,4-diethyl-2-iminocyclopent-3-en-1-amine (CID 91549426) is 3,4-diethyl-2-iminocyclopent-3-en-1-amine.
What is the SMILES notation for 3,4-diethyl-2-iminocyclopent-3-en-1-amine?
The canonical SMILES for 3,4-diethyl-2-iminocyclopent-3-en-1-amine is [H]/N=C1\C(CC)=C(CC)CC1N.
What is the InChIKey of 3,4-diethyl-2-iminocyclopent-3-en-1-amine?
The InChIKey is YBQNKUVOXTVUSP-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-6-5-8(10)9(11)7(6)4-2/h8,11H,3-5,10H2,1-2H3/b11-9+.
What are the key properties of 3,4-diethyl-2-iminocyclopent-3-en-1-amine?
3,4-diethyl-2-iminocyclopent-3-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2-iminocyclopent-3-en-1-amine is sourced from PubChem (CID 91549426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).