2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene

C17H25N7 — CID 22086201

IUPAC2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene
SMILESC=c1cc(C)[nH]c(C)nc(C)nc(C)nc(C)nc(C)nc(=C)[nH]1
InChIInChI=1S/C17H25N7/c1-10-9-11(2)19-13(4)21-15(6)23-17(8)24-16(7)22-14(5)20-12(3)18-10/h9,18H,1,3H2,2,4-8H3,(H,19,20,21,22,23,24)/b11-9+
InChIKeyXTKKENJEQHWFEM-PKNBQFBNSA-N
MW327.44 g/mol
LogP1.36
Rot. Bonds

About 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene

2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene (PubChem CID 22086201) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene.

Molecular Properties

Compound Name2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene
PubChem CID22086201
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene
SMILESC=c1cc(C)[nH]c(C)nc(C)nc(C)nc(C)nc(C)nc(=C)[nH]1
InChIInChI=1S/C17H25N7/c1-10-9-11(2)19-13(4)21-15(6)23-17(8)24-16(7)22-14(5)20-12(3)18-10/h9,18H,1,3H2,2,4-8H3,(H,19,20,21,22,23,24)/b11-9+
InChIKeyXTKKENJEQHWFEM-PKNBQFBNSA-N
XLogP1.36
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene with MolForge

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Related Compounds

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N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
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N,N'-bis(but-2-en-2-yl)ethanimidamide
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N'-[1-(but-3-en-2-ylideneamino)ethenyl]-N-[(3E)-4-(but-3-en-2-ylideneamino)penta-1,3-dien-2-yl]ethanimidamide
CID 123344635
N-[(Z)-but-2-en-2-yl]-N'-but-2-en-2-ylethanimidamide
CID 123655703
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CID 129060640
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CID 134533572
N'-buta-1,3-dien-2-yl-N-[(2E)-penta-2,4-dien-2-yl]ethanimidamide
CID 139305356
N'-buta-1,3-dien-2-yl-N-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 139305364
N'-buta-1,3-dien-2-yl-N-(4-methylpenta-1,3-dien-2-yl)ethanimidamide
CID 139306064
N-[amino-(3-methylbut-1-en-2-ylamino)methylidene]-N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide;butane;ethane
CID 142393969

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene?
The IUPAC name of 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene (CID 22086201) is 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene.
What is the SMILES notation for 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene?
The canonical SMILES for 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene is C=c1cc(C)[nH]c(C)nc(C)nc(C)nc(C)nc(C)nc(=C)[nH]1.
What is the InChIKey of 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene?
The InChIKey is XTKKENJEQHWFEM-PKNBQFBNSA-N. The full InChI is InChI=1S/C17H25N7/c1-10-9-11(2)19-13(4)21-15(6)23-17(8)24-16(7)22-14(5)20-12(3)18-10/h9,18H,1,3H2,2,4-8H3,(H,19,20,21,22,23,24)/b11-9+.
What are the key properties of 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene?
2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene has a molecular weight of 327.44 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10,16-hexamethyl-12,14-dimethylidene-1,3,5,7,9,11,13-heptazacyclohexadeca-2,4,6,8,10,15-hexaene is sourced from PubChem (CID 22086201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).