2-imino-3,4-dimethylcyclooct-3-en-1-amine

C10H18N2 — CID 91118223

IUPAC2-imino-3,4-dimethylcyclooct-3-en-1-amine
SMILES[H]/N=C1\C(C)=C(C)CCCCC1N
InChIInChI=1S/C10H18N2/c1-7-5-3-4-6-9(11)10(12)8(7)2/h9,12H,3-6,11H2,1-2H3/b8-7?,12-10+
InChIKeyUXBZGDCKWCSSJE-ASKXDLKRSA-N
MW166.27 g/mol
LogP2.24
Rot. Bonds

About 2-imino-3,4-dimethylcyclooct-3-en-1-amine

2-imino-3,4-dimethylcyclooct-3-en-1-amine (PubChem CID 91118223) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-imino-3,4-dimethylcyclooct-3-en-1-amine.

Molecular Properties

Compound Name2-imino-3,4-dimethylcyclooct-3-en-1-amine
PubChem CID91118223
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-imino-3,4-dimethylcyclooct-3-en-1-amine
SMILES[H]/N=C1\C(C)=C(C)CCCCC1N
InChIInChI=1S/C10H18N2/c1-7-5-3-4-6-9(11)10(12)8(7)2/h9,12H,3-6,11H2,1-2H3/b8-7?,12-10+
InChIKeyUXBZGDCKWCSSJE-ASKXDLKRSA-N
XLogP2.24
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.24
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-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 2-imino-3,4-dimethylcyclooct-3-en-1-amine?
The IUPAC name of 2-imino-3,4-dimethylcyclooct-3-en-1-amine (CID 91118223) is 2-imino-3,4-dimethylcyclooct-3-en-1-amine.
What is the SMILES notation for 2-imino-3,4-dimethylcyclooct-3-en-1-amine?
The canonical SMILES for 2-imino-3,4-dimethylcyclooct-3-en-1-amine is [H]/N=C1\C(C)=C(C)CCCCC1N.
What is the InChIKey of 2-imino-3,4-dimethylcyclooct-3-en-1-amine?
The InChIKey is UXBZGDCKWCSSJE-ASKXDLKRSA-N. The full InChI is InChI=1S/C10H18N2/c1-7-5-3-4-6-9(11)10(12)8(7)2/h9,12H,3-6,11H2,1-2H3/b8-7?,12-10+.
What are the key properties of 2-imino-3,4-dimethylcyclooct-3-en-1-amine?
2-imino-3,4-dimethylcyclooct-3-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3,4-dimethylcyclooct-3-en-1-amine is sourced from PubChem (CID 91118223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).