(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine

C23H38N2 — CID 122664605

IUPAC(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine
SMILES[H]/N=C/[C@@H](C/C=C\CCC(C)C)C[C@H]1CC=C(C2=CCCCC2)CC1N
InChIInChI=1S/C23H38N2/c1-18(2)9-5-3-6-10-19(17-24)15-22-14-13-21(16-23(22)25)20-11-7-4-8-12-20/h3,6,11,13,17-19,22-24H,4-5,7-10,12,14-16,25H2,1-2H3/b6-3-,24-17+/t19-,22+,23?/m0/s1
InChIKeyVPZNJWZXNTZNKW-FEMYPMKNSA-N
MW342.57 g/mol
LogP6.19
Rot. Bonds9

About (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine

(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine (PubChem CID 122664605) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine
PubChem CID122664605
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine
SMILES[H]/N=C/[C@@H](C/C=C\CCC(C)C)C[C@H]1CC=C(C2=CCCCC2)CC1N
InChIInChI=1S/C23H38N2/c1-18(2)9-5-3-6-10-19(17-24)15-22-14-13-21(16-23(22)25)20-11-7-4-8-12-20/h3,6,11,13,17-19,22-24H,4-5,7-10,12,14-16,25H2,1-2H3/b6-3-,24-17+/t19-,22+,23?/m0/s1
InChIKeyVPZNJWZXNTZNKW-FEMYPMKNSA-N
XLogP6.19
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine?
The IUPAC name of (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine (CID 122664605) is (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine.
What is the SMILES notation for (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine?
The canonical SMILES for (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine is [H]/N=C/[C@@H](C/C=C\CCC(C)C)C[C@H]1CC=C(C2=CCCCC2)CC1N.
What is the InChIKey of (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine?
The InChIKey is VPZNJWZXNTZNKW-FEMYPMKNSA-N. The full InChI is InChI=1S/C23H38N2/c1-18(2)9-5-3-6-10-19(17-24)15-22-14-13-21(16-23(22)25)20-11-7-4-8-12-20/h3,6,11,13,17-19,22-24H,4-5,7-10,12,14-16,25H2,1-2H3/b6-3-,24-17+/t19-,22+,23?/m0/s1.
What are the key properties of (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine?
(6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine has a molecular weight of 342.57 g/mol, XLogP of 6.19, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(cyclohexen-1-yl)-6-[(Z,2S)-2-methanimidoyl-8-methylnon-4-enyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 122664605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).