(3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide

C21H24N4 — CID 142296381

IUPAC(3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide
SMILESC=C/C=C\C/C(N)=C/C(N)/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H24N4/c1-2-3-6-11-17(22)16-20(23)21(24-18-12-7-4-8-13-18)25-19-14-9-5-10-15-19/h2-10,12-16,20H,1,11,22-23H2,(H,24,25)/b6-3-,17-16-
InChIKeyQJGSTPHTZWAVLK-PVMFJLQQSA-N
MW332.45 g/mol
LogP4.13
Rot. Bonds7

About (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide

(3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide (PubChem CID 142296381) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide.

Molecular Properties

Compound Name(3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide
PubChem CID142296381
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide
SMILESC=C/C=C\C/C(N)=C/C(N)/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C21H24N4/c1-2-3-6-11-17(22)16-20(23)21(24-18-12-7-4-8-13-18)25-19-14-9-5-10-15-19/h2-10,12-16,20H,1,11,22-23H2,(H,24,25)/b6-3-,17-16-
InChIKeyQJGSTPHTZWAVLK-PVMFJLQQSA-N
XLogP4.13
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(6-phenyliminodeca-1,3,7,9-tetraenyl)aniline
CID 151597012
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
1-anilino-2-phenylguanidine
CID 18758781
benzyl (3E)-hexa-3,5-dienoate
CID 101344578
N'-(N,N'-diphenylcarbamimidoyl)propanimidamide
CID 102035335
3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide
CID 173491524
1-[[N'-(2-methylphenyl)carbamimidoyl]amino]-2,3-diphenylguanidine
CID 57051109
N-phenylprop-2-enimidoyl chloride
CID 15040268
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167
[(3E,6Z)-4-ethenylnona-3,6,8-trien-2-yl]sulfanylbenzene
CID 173468385
(2-chlorophenyl) N,N'-diphenylcarbamimidothioate
CID 134917443
2-amino-3-[4-[[3-(diaminomethylideneamino)phenyl]carbamoylamino]phenyl]propanoic acid
CID 20666953

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide?
The IUPAC name of (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide (CID 142296381) is (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide.
What is the SMILES notation for (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide?
The canonical SMILES for (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide is C=C/C=C\C/C(N)=C/C(N)/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide?
The InChIKey is QJGSTPHTZWAVLK-PVMFJLQQSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-3-6-11-17(22)16-20(23)21(24-18-12-7-4-8-13-18)25-19-14-9-5-10-15-19/h2-10,12-16,20H,1,11,22-23H2,(H,24,25)/b6-3-,17-16-.
What are the key properties of (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide?
(3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide has a molecular weight of 332.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-2,4-diamino-N,N'-diphenylnona-3,6,8-trienimidamide is sourced from PubChem (CID 142296381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).