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

C19H26N4 — CID 46888654

IUPACN'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESNCCCCN(Cc1ccccn1)C1CCCc2cccnc21
InChIInChI=1S/C19H26N4/c20-11-2-4-14-23(15-17-9-1-3-12-21-17)18-10-5-7-16-8-6-13-22-19(16)18/h1,3,6,8-9,12-13,18H,2,4-5,7,10-11,14-15,20H2
InChIKeyVGHVNBUMMIDEEM-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.10
Rot. Bonds7

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

N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (PubChem CID 46888654) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
PubChem CID46888654
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
SMILESNCCCCN(Cc1ccccn1)C1CCCc2cccnc21
InChIInChI=1S/C19H26N4/c20-11-2-4-14-23(15-17-9-1-3-12-21-17)18-10-5-7-16-8-6-13-22-19(16)18/h1,3,6,8-9,12-13,18H,2,4-5,7,10-11,14-15,20H2
InChIKeyVGHVNBUMMIDEEM-UHFFFAOYSA-N
XLogP3.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.10
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'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The IUPAC name of N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine (CID 46888654) is N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The canonical SMILES for N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is NCCCCN(Cc1ccccn1)C1CCCc2cccnc21.
What is the InChIKey of N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
The InChIKey is VGHVNBUMMIDEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c20-11-2-4-14-23(15-17-9-1-3-12-21-17)18-10-5-7-16-8-6-13-22-19(16)18/h1,3,6,8-9,12-13,18H,2,4-5,7,10-11,14-15,20H2.
What are the key properties of N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine?
N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine has a molecular weight of 310.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine is sourced from PubChem (CID 46888654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).