N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine

C22H37N — CID 166787896

IUPACN-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine
SMILESCC/C=N/C1CCC23CCC(CCCC/C=C\C(C1)C2C)CC3
InChIInChI=1S/C22H37N/c1-3-16-23-21-12-15-22-13-10-19(11-14-22)8-6-4-5-7-9-20(17-21)18(22)2/h7,9,16,18-21H,3-6,8,10-15,17H2,1-2H3/b9-7-,23-16+
InChIKeyOPASYEKMRYGADM-BFKGZPJOSA-N
MW315.55 g/mol
LogP6.58
Rot. Bonds2

About N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine

N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine (PubChem CID 166787896) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine
PubChem CID166787896
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC NameN-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine
SMILESCC/C=N/C1CCC23CCC(CCCC/C=C\C(C1)C2C)CC3
InChIInChI=1S/C22H37N/c1-3-16-23-21-12-15-22-13-10-19(11-14-22)8-6-4-5-7-9-20(17-21)18(22)2/h7,9,16,18-21H,3-6,8,10-15,17H2,1-2H3/b9-7-,23-16+
InChIKeyOPASYEKMRYGADM-BFKGZPJOSA-N
XLogP6.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine?
The IUPAC name of N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine (CID 166787896) is N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine.
What is the SMILES notation for N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine?
The canonical SMILES for N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine is CC/C=N/C1CCC23CCC(CCCC/C=C\C(C1)C2C)CC3.
What is the InChIKey of N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine?
The InChIKey is OPASYEKMRYGADM-BFKGZPJOSA-N. The full InChI is InChI=1S/C22H37N/c1-3-16-23-21-12-15-22-13-10-19(11-14-22)8-6-4-5-7-9-20(17-21)18(22)2/h7,9,16,18-21H,3-6,8,10-15,17H2,1-2H3/b9-7-,23-16+.
What are the key properties of N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine?
N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine has a molecular weight of 315.55 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7Z)-18-methyl-4-tricyclo[11.2.2.11,6]octadec-7-enyl]propan-1-imine is sourced from PubChem (CID 166787896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).