4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide

C19H35N3O — CID 91500196

IUPAC4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCC(N)(N)CCC(N)=O
InChIInChI=1S/C19H35N3O/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-13-19(21,22)14-12-18(20)23/h7,9,11H,5-6,8,10,12-14,21-22H2,1-4H3,(H2,20,23)
InChIKeyUPSOLJNNVDGHRH-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.67
Rot. Bonds11

About 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide

4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide (PubChem CID 91500196) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide.

Molecular Properties

Compound Name4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide
PubChem CID91500196
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide
SMILESCC(C)=CCCC(C)=CCCC(C)=CCC(N)(N)CCC(N)=O
InChIInChI=1S/C19H35N3O/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-13-19(21,22)14-12-18(20)23/h7,9,11H,5-6,8,10,12-14,21-22H2,1-4H3,(H2,20,23)
InChIKeyUPSOLJNNVDGHRH-UHFFFAOYSA-N
XLogP3.67
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
2,2,6,10-tetramethylundeca-5,9-dien-3-one
CID 71393329
2-hydroxy-7,11,15-trimethyl-2-phosphonohexadeca-6,10,14-trienoic acid
CID 54070061

Frequently Asked Questions

What is the IUPAC name of 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide?
The IUPAC name of 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide (CID 91500196) is 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide.
What is the SMILES notation for 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide?
The canonical SMILES for 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide is CC(C)=CCCC(C)=CCCC(C)=CCC(N)(N)CCC(N)=O.
What is the InChIKey of 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide?
The InChIKey is UPSOLJNNVDGHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-13-19(21,22)14-12-18(20)23/h7,9,11H,5-6,8,10,12-14,21-22H2,1-4H3,(H2,20,23).
What are the key properties of 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide?
4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide has a molecular weight of 321.51 g/mol, XLogP of 3.67, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diamino-7,11,15-trimethylhexadeca-6,10,14-trienamide is sourced from PubChem (CID 91500196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).