N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine

C27H31N3 — CID 10000887

IUPACN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine
SMILESCN(C)CCCCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C27H31N3/c1-30(2)18-10-4-3-9-17-28-27-20-26(29-25-14-8-7-13-24(25)27)23-16-15-21-11-5-6-12-22(21)19-23/h5-8,11-16,19-20H,3-4,9-10,17-18H2,1-2H3,(H,28,29)
InChIKeyLHORDUQDLYJOKB-UHFFFAOYSA-N
MW397.57 g/mol
LogP6.59
Rot. Bonds9

About N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine

N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine (PubChem CID 10000887) has the molecular formula C27H31N3 and a molecular weight of 397.57 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine
PubChem CID10000887
Molecular FormulaC27H31N3
Molecular Weight397.57 g/mol
Exact Mass397.25
IUPAC NameN',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine
SMILESCN(C)CCCCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C27H31N3/c1-30(2)18-10-4-3-9-17-28-27-20-26(29-25-14-8-7-13-24(25)27)23-16-15-21-11-5-6-12-22(21)19-23/h5-8,11-16,19-20H,3-4,9-10,17-18H2,1-2H3,(H,28,29)
InChIKeyLHORDUQDLYJOKB-UHFFFAOYSA-N
XLogP6.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine (CID 10000887) is N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine is CN(C)CCCCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine?
The InChIKey is LHORDUQDLYJOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3/c1-30(2)18-10-4-3-9-17-28-27-20-26(29-25-14-8-7-13-24(25)27)23-16-15-21-11-5-6-12-22(21)19-23/h5-8,11-16,19-20H,3-4,9-10,17-18H2,1-2H3,(H,28,29).
What are the key properties of N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine?
N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine has a molecular weight of 397.57 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-naphthalen-2-ylquinolin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 10000887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).