N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine

C24H30N8 — CID 177398047

IUPACN-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine
SMILESCN1CCCN(C)C1=Nc1c(N=C2N(C)CCCN2C)c2cccnc2c2ncccc12
InChIInChI=1S/C24H30N8/c1-29-13-7-14-30(2)23(29)27-21-17-9-5-11-25-19(17)20-18(10-6-12-26-20)22(21)28-24-31(3)15-8-16-32(24)4/h5-6,9-12H,7-8,13-16H2,1-4H3
InChIKeyYULFBONUBNGDRB-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.29
Rot. Bonds2

About N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine

N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine (PubChem CID 177398047) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine.

Molecular Properties

Compound NameN-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine
PubChem CID177398047
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC NameN-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine
SMILESCN1CCCN(C)C1=Nc1c(N=C2N(C)CCCN2C)c2cccnc2c2ncccc12
InChIInChI=1S/C24H30N8/c1-29-13-7-14-30(2)23(29)27-21-17-9-5-11-25-19(17)20-18(10-6-12-26-20)22(21)28-24-31(3)15-8-16-32(24)4/h5-6,9-12H,7-8,13-16H2,1-4H3
InChIKeyYULFBONUBNGDRB-UHFFFAOYSA-N
XLogP3.29
TPSA63.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-Amino-3,4-dimethylimidazo(4,5-f)quinoline
CID 62274
1,10-Phenanthrolin-5-amine
CID 606970
Eilatine
CID 149352
Pyrazino[2,3-f][1,10]phenanthroline
CID 11765072
2-Methyl-4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]quinoline
CID 2885420
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 66554658
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2S)-1-methylpiperazin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 68290083
3-Methyl-2-[2-(1,5-naphthyridin-2-yl)ethyl]imidazo[4,5-f]quinoline
CID 70648748
US10167270, Example 10
CID 124168411
4-(2,3-dimethylquinoxalin-6-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 166632956
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)azetidin-1-yl]quinoline
CID 58546771
N,N-dimethyl-5-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 58546783

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine?
The IUPAC name of N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine (CID 177398047) is N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine.
What is the SMILES notation for N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine?
The canonical SMILES for N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine is CN1CCCN(C)C1=Nc1c(N=C2N(C)CCCN2C)c2cccnc2c2ncccc12.
What is the InChIKey of N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine?
The InChIKey is YULFBONUBNGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-29-13-7-14-30(2)23(29)27-21-17-9-5-11-25-19(17)20-18(10-6-12-26-20)22(21)28-24-31(3)15-8-16-32(24)4/h5-6,9-12H,7-8,13-16H2,1-4H3.
What are the key properties of N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine?
N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine has a molecular weight of 430.56 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,3-dimethyl-1,3-diazinan-2-ylidene)amino]-1,10-phenanthrolin-5-yl]-1,3-dimethyl-1,3-diazinan-2-imine is sourced from PubChem (CID 177398047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).