5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine

C10H17N3 — CID 129311820

IUPAC5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
SMILESCN/C=C\N=C1/CC=C(N)CC1C
InChIInChI=1S/C10H17N3/c1-8-7-9(11)3-4-10(8)13-6-5-12-2/h3,5-6,8,12H,4,7,11H2,1-2H3/b6-5-,13-10+
InChIKeyBQARJIAQIUZRSG-UHYAQULISA-N
MW179.27 g/mol
LogP1.39
Rot. Bonds2

About 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine

5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine (PubChem CID 129311820) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine.

Molecular Properties

Compound Name5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
PubChem CID129311820
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
SMILESCN/C=C\N=C1/CC=C(N)CC1C
InChIInChI=1S/C10H17N3/c1-8-7-9(11)3-4-10(8)13-6-5-12-2/h3,5-6,8,12H,4,7,11H2,1-2H3/b6-5-,13-10+
InChIKeyBQARJIAQIUZRSG-UHYAQULISA-N
XLogP1.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine?
The IUPAC name of 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine (CID 129311820) is 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine.
What is the SMILES notation for 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine?
The canonical SMILES for 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine is CN/C=C\N=C1/CC=C(N)CC1C.
What is the InChIKey of 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine?
The InChIKey is BQARJIAQIUZRSG-UHYAQULISA-N. The full InChI is InChI=1S/C10H17N3/c1-8-7-9(11)3-4-10(8)13-6-5-12-2/h3,5-6,8,12H,4,7,11H2,1-2H3/b6-5-,13-10+.
What are the key properties of 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine?
5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine is sourced from PubChem (CID 129311820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).