(Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine

C26H47N — CID 174346137

IUPAC(Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine
SMILESCCC/C(CCC(C)C)=C(\C=C(\C)CC)[C@@H](CC1CCCCC1)/C(C)=N/C
InChIInChI=1S/C26H47N/c1-8-13-24(17-16-20(3)4)26(18-21(5)9-2)25(22(6)27-7)19-23-14-11-10-12-15-23/h18,20,23,25H,8-17,19H2,1-7H3/b21-18-,26-24-,27-22+/t25-/m0/s1
InChIKeyOIQJFGDRYOCTNF-VNEJJLQFSA-N
MW373.67 g/mol
LogP8.55
Rot. Bonds11

About (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine

(Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine (PubChem CID 174346137) has the molecular formula C26H47N and a molecular weight of 373.67 g/mol. Its IUPAC name is (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine.

Molecular Properties

Compound Name(Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine
PubChem CID174346137
Molecular FormulaC26H47N
Molecular Weight373.67 g/mol
Exact Mass373.37
IUPAC Name(Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine
SMILESCCC/C(CCC(C)C)=C(\C=C(\C)CC)[C@@H](CC1CCCCC1)/C(C)=N/C
InChIInChI=1S/C26H47N/c1-8-13-24(17-16-20(3)4)26(18-21(5)9-2)25(22(6)27-7)19-23-14-11-10-12-15-23/h18,20,23,25H,8-17,19H2,1-7H3/b21-18-,26-24-,27-22+/t25-/m0/s1
InChIKeyOIQJFGDRYOCTNF-VNEJJLQFSA-N
XLogP8.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine?
The IUPAC name of (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine (CID 174346137) is (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine.
What is the SMILES notation for (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine?
The canonical SMILES for (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine is CCC/C(CCC(C)C)=C(\C=C(\C)CC)[C@@H](CC1CCCCC1)/C(C)=N/C.
What is the InChIKey of (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine?
The InChIKey is OIQJFGDRYOCTNF-VNEJJLQFSA-N. The full InChI is InChI=1S/C26H47N/c1-8-13-24(17-16-20(3)4)26(18-21(5)9-2)25(22(6)27-7)19-23-14-11-10-12-15-23/h18,20,23,25H,8-17,19H2,1-7H3/b21-18-,26-24-,27-22+/t25-/m0/s1.
What are the key properties of (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine?
(Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine has a molecular weight of 373.67 g/mol, XLogP of 8.55, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-3-(cyclohexylmethyl)-N,8-dimethyl-4-[(Z)-2-methylbut-1-enyl]-5-propylnon-4-en-2-imine is sourced from PubChem (CID 174346137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).