N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine

C27H34N6 — CID 169201494

IUPACN'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC/C=C\C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)=N/CC
InChIInChI=1S/C27H34N6/c1-3-11-24(28-4-2)20-32(21-25-12-5-8-15-29-25)18-19-33(22-26-13-6-9-16-30-26)23-27-14-7-10-17-31-27/h3,5-17H,4,18-23H2,1-2H3/b11-3-,28-24+
InChIKeyDSUUUNJKTBKCDS-HSXZXRISSA-N
MW442.61 g/mol
LogP4.41
Rot. Bonds13

About N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 169201494) has the molecular formula C27H34N6 and a molecular weight of 442.61 g/mol. Its IUPAC name is N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID169201494
Molecular FormulaC27H34N6
Molecular Weight442.61 g/mol
Exact Mass442.28
IUPAC NameN'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESC/C=C\C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)=N/CC
InChIInChI=1S/C27H34N6/c1-3-11-24(28-4-2)20-32(21-25-12-5-8-15-29-25)18-19-33(22-26-13-6-9-16-30-26)23-27-14-7-10-17-31-27/h3,5-17H,4,18-23H2,1-2H3/b11-3-,28-24+
InChIKeyDSUUUNJKTBKCDS-HSXZXRISSA-N
XLogP4.41
TPSA57.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
2-[[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 15845106
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
3-[2-[bis(pyridin-2-ylmethyl)amino]ethylimino]-2-methylbutane-2-thiol
CID 102450567
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
(NE)-N-[1-[[(2E)-2-hydroxyiminopropyl]-(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 59821034
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-[1-[butyl(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 71426067
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate;ethyl 2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetate
CID 160612270
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 169201494) is N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine is C/C=C\C(CN(CCN(Cc1ccccn1)Cc1ccccn1)Cc1ccccn1)=N/CC.
What is the InChIKey of N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is DSUUUNJKTBKCDS-HSXZXRISSA-N. The full InChI is InChI=1S/C27H34N6/c1-3-11-24(28-4-2)20-32(21-25-12-5-8-15-29-25)18-19-33(22-26-13-6-9-16-30-26)23-27-14-7-10-17-31-27/h3,5-17H,4,18-23H2,1-2H3/b11-3-,28-24+.
What are the key properties of N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 442.61 g/mol, XLogP of 4.41, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-ethyliminopent-3-enyl]-N,N,N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 169201494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).