N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine

C30H38N4 — CID 21943

IUPACN,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine
SMILESCc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyGZIJBIYIMDKOSA-UHFFFAOYSA-N
MW454.66 g/mol
LogP8.04
Rot. Bonds13

About N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine

N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine (PubChem CID 21943) has the molecular formula C30H38N4 and a molecular weight of 454.66 g/mol. Its IUPAC name is N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine.

Molecular Properties

Compound NameN,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine
PubChem CID21943
Molecular FormulaC30H38N4
Molecular Weight454.66 g/mol
Exact Mass454.31
IUPAC NameN,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine
SMILESCc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyGZIJBIYIMDKOSA-UHFFFAOYSA-N
XLogP8.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 58.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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9-Aminoacridine
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Ethidium Bromide
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Nitracrine
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Propidium Iodide
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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine?
The IUPAC name of N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine (CID 21943) is N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine.
What is the SMILES notation for N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine?
The canonical SMILES for N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine is Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1.
What is the InChIKey of N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine?
The InChIKey is GZIJBIYIMDKOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine?
N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine has a molecular weight of 454.66 g/mol, XLogP of 8.04, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine is sourced from PubChem (CID 21943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).