(6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine

C32H57N — CID 129161140

IUPAC(6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine
SMILES[H]/N=C(/CC/C(C(=C)C)=C(\C)CCCC(C)C)CC[C@@H](C)C(C)[C@H](CC)C/C=C\C=C/C(C)C
InChIInChI=1S/C32H57N/c1-11-30(19-14-12-13-16-24(2)3)29(10)27(8)20-21-31(33)22-23-32(26(6)7)28(9)18-15-17-25(4)5/h12-14,16,24-25,27,29-30,33H,6,11,15,17-23H2,1-5,7-10H3/b14-12-,16-13-,32-28-,33-31+/t27-,29?,30-/m1/s1
InChIKeyMDMNABVMEIXDCE-CODVEMRZSA-N
MW455.82 g/mol
LogP10.74
Rot. Bonds18

About (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine

(6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine (PubChem CID 129161140) has the molecular formula C32H57N and a molecular weight of 455.82 g/mol. Its IUPAC name is (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine.

Molecular Properties

Compound Name(6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine
PubChem CID129161140
Molecular FormulaC32H57N
Molecular Weight455.82 g/mol
Exact Mass455.45
IUPAC Name(6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine
SMILES[H]/N=C(/CC/C(C(=C)C)=C(\C)CCCC(C)C)CC[C@@H](C)C(C)[C@H](CC)C/C=C\C=C/C(C)C
InChIInChI=1S/C32H57N/c1-11-30(19-14-12-13-16-24(2)3)29(10)27(8)20-21-31(33)22-23-32(26(6)7)28(9)18-15-17-25(4)5/h12-14,16,24-25,27,29-30,33H,6,11,15,17-23H2,1-5,7-10H3/b14-12-,16-13-,32-28-,33-31+/t27-,29?,30-/m1/s1
InChIKeyMDMNABVMEIXDCE-CODVEMRZSA-N
XLogP10.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.82
LogP ≤ 510.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine?
The IUPAC name of (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine (CID 129161140) is (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine.
What is the SMILES notation for (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine?
The canonical SMILES for (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine is [H]/N=C(/CC/C(C(=C)C)=C(\C)CCCC(C)C)CC[C@@H](C)C(C)[C@H](CC)C/C=C\C=C/C(C)C.
What is the InChIKey of (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine?
The InChIKey is MDMNABVMEIXDCE-CODVEMRZSA-N. The full InChI is InChI=1S/C32H57N/c1-11-30(19-14-12-13-16-24(2)3)29(10)27(8)20-21-31(33)22-23-32(26(6)7)28(9)18-15-17-25(4)5/h12-14,16,24-25,27,29-30,33H,6,11,15,17-23H2,1-5,7-10H3/b14-12-,16-13-,32-28-,33-31+/t27-,29?,30-/m1/s1.
What are the key properties of (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine?
(6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine has a molecular weight of 455.82 g/mol, XLogP of 10.74, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,13R,15R,17Z,19Z)-15-ethyl-2,6,13,14,21-pentamethyl-7-prop-1-en-2-yldocosa-6,17,19-trien-10-imine is sourced from PubChem (CID 129161140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).