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

C12H22N2 — CID 90798400

IUPAC3,4-diethyl-2-iminocyclooct-3-en-1-amine
SMILES[H]/N=C1\C(CC)=C(CC)CCCCC1N
InChIInChI=1S/C12H22N2/c1-3-9-7-5-6-8-11(13)12(14)10(9)4-2/h11,14H,3-8,13H2,1-2H3/b10-9?,14-12+
InChIKeyRHSKNXVVTWKCGR-CNMAPRNFSA-N
MW194.32 g/mol
LogP3.02
Rot. Bonds2

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

3,4-diethyl-2-iminocyclooct-3-en-1-amine (PubChem CID 90798400) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3,4-diethyl-2-iminocyclooct-3-en-1-amine.

Molecular Properties

Compound Name3,4-diethyl-2-iminocyclooct-3-en-1-amine
PubChem CID90798400
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3,4-diethyl-2-iminocyclooct-3-en-1-amine
SMILES[H]/N=C1\C(CC)=C(CC)CCCCC1N
InChIInChI=1S/C12H22N2/c1-3-9-7-5-6-8-11(13)12(14)10(9)4-2/h11,14H,3-8,13H2,1-2H3/b10-9?,14-12+
InChIKeyRHSKNXVVTWKCGR-CNMAPRNFSA-N
XLogP3.02
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.02
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-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
3,4-Diethyl-2-iminocyclopent-3-en-1-amine
CID 91549426
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-iminocyclooct-3-en-1-amine?
The IUPAC name of 3,4-diethyl-2-iminocyclooct-3-en-1-amine (CID 90798400) is 3,4-diethyl-2-iminocyclooct-3-en-1-amine.
What is the SMILES notation for 3,4-diethyl-2-iminocyclooct-3-en-1-amine?
The canonical SMILES for 3,4-diethyl-2-iminocyclooct-3-en-1-amine is [H]/N=C1\C(CC)=C(CC)CCCCC1N.
What is the InChIKey of 3,4-diethyl-2-iminocyclooct-3-en-1-amine?
The InChIKey is RHSKNXVVTWKCGR-CNMAPRNFSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-9-7-5-6-8-11(13)12(14)10(9)4-2/h11,14H,3-8,13H2,1-2H3/b10-9?,14-12+.
What are the key properties of 3,4-diethyl-2-iminocyclooct-3-en-1-amine?
3,4-diethyl-2-iminocyclooct-3-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 3.02, 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-iminocyclooct-3-en-1-amine is sourced from PubChem (CID 90798400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).