N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine

C20H28N4 — CID 68960977

IUPACN'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
SMILESCc1cnc(CN(CCCN)C2CCCc3cccnc32)c(C)c1
InChIInChI=1S/C20H28N4/c1-15-12-16(2)18(23-13-15)14-24(11-5-9-21)19-8-3-6-17-7-4-10-22-20(17)19/h4,7,10,12-13,19H,3,5-6,8-9,11,14,21H2,1-2H3
InChIKeyZKKPZYXTGBLIJT-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.32
Rot. Bonds6

About N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine

N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine (PubChem CID 68960977) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
PubChem CID68960977
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
SMILESCc1cnc(CN(CCCN)C2CCCc3cccnc32)c(C)c1
InChIInChI=1S/C20H28N4/c1-15-12-16(2)18(23-13-15)14-24(11-5-9-21)19-8-3-6-17-7-4-10-22-20(17)19/h4,7,10,12-13,19H,3,5-6,8-9,11,14,21H2,1-2H3
InChIKeyZKKPZYXTGBLIJT-UHFFFAOYSA-N
XLogP3.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine with MolForge

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Related Compounds

N-[3-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]propyl]hydroxylamine
CID 58997151
N'-[(5-methyl-1H-imidazol-4-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 58997023
N'-[(3-chloro-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 25177627
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(5,6,7,8-tetrahydroquinolin-3-ylmethyl)butane-1,4-diamine
CID 69493718
N'-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59694139
N'-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59176527
4-[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]-N-hydroxypiperidine-1-carboxamide
CID 58996962
N'-[(7-fluoro-9H-pyrido[3,4-b]indol-1-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 70924218
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
2-[3-[[4-aminobutyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetamide
CID 121284940
N'-[(9-benzylpyrido[3,4-b]indol-1-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 72535467
N-[[4-[[(3,5-dimethyl-2-pyridinyl)methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]-3-(hydroxymethyl)phenyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 58996959

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
The IUPAC name of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine (CID 68960977) is N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine.
What is the SMILES notation for N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
The canonical SMILES for N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine is Cc1cnc(CN(CCCN)C2CCCc3cccnc32)c(C)c1.
What is the InChIKey of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
The InChIKey is ZKKPZYXTGBLIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-15-12-16(2)18(23-13-15)14-24(11-5-9-21)19-8-3-6-17-7-4-10-22-20(17)19/h4,7,10,12-13,19H,3,5-6,8-9,11,14,21H2,1-2H3.
What are the key properties of N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine?
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine has a molecular weight of 324.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine is sourced from PubChem (CID 68960977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).