N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine

C27H31N3 — CID 71210633

IUPACN-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
SMILESCc1cc(NCCCCCNc2cc(C)nc3ccccc23)c2cc(C)ccc2c1
InChIInChI=1S/C27H31N3/c1-19-11-12-22-15-20(2)17-26(24(22)16-19)28-13-7-4-8-14-29-27-18-21(3)30-25-10-6-5-9-23(25)27/h5-6,9-12,15-18,28H,4,7-8,13-14H2,1-3H3,(H,29,30)
InChIKeyFWAXCEAGQBJVHA-UHFFFAOYSA-N
MW397.57 g/mol
LogP7.01
Rot. Bonds8

About N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine

N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine (PubChem CID 71210633) has the molecular formula C27H31N3 and a molecular weight of 397.57 g/mol. Its IUPAC name is N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
PubChem CID71210633
Molecular FormulaC27H31N3
Molecular Weight397.57 g/mol
Exact Mass397.25
IUPAC NameN-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine
SMILESCc1cc(NCCCCCNc2cc(C)nc3ccccc23)c2cc(C)ccc2c1
InChIInChI=1S/C27H31N3/c1-19-11-12-22-15-20(2)17-26(24(22)16-19)28-13-7-4-8-14-29-27-18-21(3)30-25-10-6-5-9-23(25)27/h5-6,9-12,15-18,28H,4,7-8,13-14H2,1-3H3,(H,29,30)
InChIKeyFWAXCEAGQBJVHA-UHFFFAOYSA-N
XLogP7.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
methyl 6-[(2-methylquinolin-4-yl)amino]hexanoate
CID 60716333
4-[(2-methylquinolin-4-yl)amino]butanoic acid
CID 43419953
1,1-diiodo-N,N'-bis(2-methylquinolin-4-yl)octane-1,8-diamine;hydrate
CID 141305171
2-methyl-N-(3-methylsulfonylpropyl)quinolin-4-amine
CID 54904913
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(2-phenylsulfanylethyl)quinolin-4-amine
CID 63535075
N-[3-[(2-methylquinolin-4-yl)amino]propyl]ethanesulfonamide
CID 49431740
N-(3-butoxypropyl)-2-methylquinolin-4-amine
CID 112810282
N,N'-bis(2-methylacridin-9-yl)hexane-1,6-diamine
CID 162643745

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine?
The IUPAC name of N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine (CID 71210633) is N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine.
What is the SMILES notation for N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine?
The canonical SMILES for N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine is Cc1cc(NCCCCCNc2cc(C)nc3ccccc23)c2cc(C)ccc2c1.
What is the InChIKey of N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine?
The InChIKey is FWAXCEAGQBJVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3/c1-19-11-12-22-15-20(2)17-26(24(22)16-19)28-13-7-4-8-14-29-27-18-21(3)30-25-10-6-5-9-23(25)27/h5-6,9-12,15-18,28H,4,7-8,13-14H2,1-3H3,(H,29,30).
What are the key properties of N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine?
N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine has a molecular weight of 397.57 g/mol, XLogP of 7.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylnaphthalen-1-yl)-N'-(2-methylquinolin-4-yl)pentane-1,5-diamine is sourced from PubChem (CID 71210633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).