N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine

C30H36N6 — CID 23644778

IUPACN,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine
SMILESc1cnc2nc3c(c(NCCCCCCNc4c5c(nc6ncccc46)CCCC5)c2c1)CCCC3
InChIInChI=1S/C30H36N6/c1(7-17-31-27-21-11-3-5-15-25(21)35-29-23(27)13-9-19-33-29)2-8-18-32-28-22-12-4-6-16-26(22)36-30-24(28)14-10-20-34-30/h9-10,13-14,19-20H,1-8,11-12,15-18H2,(H,31,33,35)(H,32,34,36)
InChIKeyOYFQRIHSVKLETO-UHFFFAOYSA-N
MW480.66 g/mol
LogP6.41
Rot. Bonds9

About N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine

N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine (PubChem CID 23644778) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine
PubChem CID23644778
Molecular FormulaC30H36N6
Molecular Weight480.66 g/mol
Exact Mass480.30
IUPAC NameN,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine
SMILESc1cnc2nc3c(c(NCCCCCCNc4c5c(nc6ncccc46)CCCC5)c2c1)CCCC3
InChIInChI=1S/C30H36N6/c1(7-17-31-27-21-11-3-5-15-25(21)35-29-23(27)13-9-19-33-29)2-8-18-32-28-22-12-4-6-16-26(22)36-30-24(28)14-10-20-34-30/h9-10,13-14,19-20H,1-8,11-12,15-18H2,(H,31,33,35)(H,32,34,36)
InChIKeyOYFQRIHSVKLETO-UHFFFAOYSA-N
XLogP6.41
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine with MolForge

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Related Compounds

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6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
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CID 10248318
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
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CID 67983123

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine (CID 23644778) is N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine is c1cnc2nc3c(c(NCCCCCCNc4c5c(nc6ncccc46)CCCC5)c2c1)CCCC3.
What is the InChIKey of N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine?
The InChIKey is OYFQRIHSVKLETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6/c1(7-17-31-27-21-11-3-5-15-25(21)35-29-23(27)13-9-19-33-29)2-8-18-32-28-22-12-4-6-16-26(22)36-30-24(28)14-10-20-34-30/h9-10,13-14,19-20H,1-8,11-12,15-18H2,(H,31,33,35)(H,32,34,36).
What are the key properties of N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine?
N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine has a molecular weight of 480.66 g/mol, XLogP of 6.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridin-5-yl)hexane-1,6-diamine is sourced from PubChem (CID 23644778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).