N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

C21H30N4 — CID 58996972

IUPACN'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESCC(C)(c1ccccn1)N(CCCCN)C1CCCc2cccnc21
InChIInChI=1S/C21H30N4/c1-21(2,19-12-3-5-14-23-19)25(16-6-4-13-22)18-11-7-9-17-10-8-15-24-20(17)18/h3,5,8,10,12,14-15,18H,4,6-7,9,11,13,16,22H2,1-2H3
InChIKeyIAHYWICOYZWSJR-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.83
Rot. Bonds7

About N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine

N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (PubChem CID 58996972) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
PubChem CID58996972
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC NameN'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESCC(C)(c1ccccn1)N(CCCCN)C1CCCc2cccnc21
InChIInChI=1S/C21H30N4/c1-21(2,19-12-3-5-14-23-19)25(16-6-4-13-22)18-11-7-9-17-10-8-15-24-20(17)18/h3,5,8,10,12,14-15,18H,4,6-7,9,11,13,16,22H2,1-2H3
InChIKeyIAHYWICOYZWSJR-UHFFFAOYSA-N
XLogP3.83
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine with MolForge

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Related Compounds

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'-[(5-methyl-1H-imidazol-4-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 58997023
N'-[[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
CID 57343965
N'-[(9-methylpyrido[3,4-b]indol-1-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59176527
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
N'-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59694139
3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 19851779
N'-[(3,5-dimethyl-2-pyridinyl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)propane-1,3-diamine
CID 68960977
methane;N'-[(4-methoxy-1H-benzimidazol-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 158148402

Frequently Asked Questions

What is the IUPAC name of N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The IUPAC name of N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (CID 58996972) is N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The canonical SMILES for N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is CC(C)(c1ccccn1)N(CCCCN)C1CCCc2cccnc21.
What is the InChIKey of N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The InChIKey is IAHYWICOYZWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-21(2,19-12-3-5-14-23-19)25(16-6-4-13-22)18-11-7-9-17-10-8-15-24-20(17)18/h3,5,8,10,12,14-15,18H,4,6-7,9,11,13,16,22H2,1-2H3.
What are the key properties of N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine has a molecular weight of 338.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-pyridin-2-ylpropan-2-yl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is sourced from PubChem (CID 58996972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).