N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

C20H28N4 — CID 53319745

IUPACN'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESCc1ccnc(CN(CCCCN)C2CCCc3cccnc32)c1
InChIInChI=1S/C20H28N4/c1-16-9-12-22-18(14-16)15-24(13-3-2-10-21)19-8-4-6-17-7-5-11-23-20(17)19/h5,7,9,11-12,14,19H,2-4,6,8,10,13,15,21H2,1H3
InChIKeyAOYOMCFAVFSUJS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.40
Rot. Bonds7

About N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (PubChem CID 53319745) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
PubChem CID53319745
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESCc1ccnc(CN(CCCCN)C2CCCc3cccnc32)c1
InChIInChI=1S/C20H28N4/c1-16-9-12-22-18(14-16)15-24(13-3-2-10-21)19-8-4-6-17-7-5-11-23-20(17)19/h5,7,9,11-12,14,19H,2-4,6,8,10,13,15,21H2,1H3
InChIKeyAOYOMCFAVFSUJS-UHFFFAOYSA-N
XLogP3.40
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The IUPAC name of N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (CID 53319745) is N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.
What is the SMILES notation for N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The canonical SMILES for N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is Cc1ccnc(CN(CCCCN)C2CCCc3cccnc32)c1.
What is the InChIKey of N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The InChIKey is AOYOMCFAVFSUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-16-9-12-22-18(14-16)15-24(13-3-2-10-21)19-8-4-6-17-7-5-11-23-20(17)19/h5,7,9,11-12,14,19H,2-4,6,8,10,13,15,21H2,1H3.
What are the key properties of N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is sourced from PubChem (CID 53319745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).