N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine

C74H109N19 — CID 160982884

About N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine

N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine (PubChem CID 160982884) has the molecular formula C74H109N19 and a molecular weight of 1264.82 g/mol. Its IUPAC name is N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine.

Molecular Properties

• Compound Name: N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine
• PubChem CID: 160982884
• Molecular Formula: C74H109N19
• Molecular Weight: 1264.82 g/mol
• Exact Mass: 1263.91
• IUPAC Name: N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine
• SMILES: C(CNC1CCNCC1)CNC1CCNCC1.c1cc(CCCCCCNCCc2ccncc2)ccn1.c1cc(CNCCCCNCc2ccncc2)ccn1.c1cc(NCCCCNc2ccncc2)ccn1.c1cc(NCCCNc2ccncc2)ccn1
• InChI: InChI=1S/C18H25N3.C16H22N4.C14H18N4.C13H28N4.C13H16N4/c1(3-5-17-6-13-20-14-7-17)2-4-11-19-12-8-18-9-15-21-16-10-18;1(7-19-13-15-3-9-17-10-4-15)2-8-20-14-16-5-11-18-12-6-16;1(7-17-13-3-9-15-10-4-13)2-8-18-14-5-11-16-12-6-14;2*1(6-16-12-2-8-14-9-3-12)7-17-13-4-10-15-11-5-13/h6-7,9-10,13-16,19H,1-5,8,11-12H2;3-6,9-12,19-20H,1-2,7-8,13-14H2;3-6,9-12H,1-2,7-8H2,(H,15,17)(H,16,18);12-17H,1-11H2;2-5,8-11H,1,6-7H2,(H,14,16)(H,15,17)
• InChIKey: SZSZWDNSRZAVOY-UHFFFAOYSA-N
• XLogP: 10.78
• TPSA: 235.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 38
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1264.82
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine?

The IUPAC name of N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine (CID 160982884) is N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine.

What is the SMILES notation for N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine?

The canonical SMILES for N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine is C(CNC1CCNCC1)CNC1CCNCC1.c1cc(CCCCCCNCCc2ccncc2)ccn1.c1cc(CNCCCCNCc2ccncc2)ccn1.c1cc(NCCCCNc2ccncc2)ccn1.c1cc(NCCCNc2ccncc2)ccn1.

What is the InChIKey of N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine?

The InChIKey is SZSZWDNSRZAVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3.C16H22N4.C14H18N4.C13H28N4.C13H16N4/c1(3-5-17-6-13-20-14-7-17)2-4-11-19-12-8-18-9-15-21-16-10-18;1(7-19-13-15-3-9-17-10-4-15)2-8-20-14-16-5-11-18-12-6-16;1(7-17-13-3-9-15-10-4-13)2-8-18-14-5-11-16-12-6-14;2*1(6-16-12-2-8-14-9-3-12)7-17-13-4-10-15-11-5-13/h6-7,9-10,13-16,19H,1-5,8,11-12H2;3-6,9-12,19-20H,1-2,7-8,13-14H2;3-6,9-12H,1-2,7-8H2,(H,15,17)(H,16,18);12-17H,1-11H2;2-5,8-11H,1,6-7H2,(H,14,16)(H,15,17).

What are the key properties of N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine?

N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine has a molecular weight of 1264.82 g/mol, XLogP of 10.78, 38 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N,N'-bis(pyridin-4-ylmethyl)butane-1,4-diamine;N,N'-di(piperidin-4-yl)propane-1,3-diamine;N,N'-dipyridin-4-ylbutane-1,4-diamine;N,N'-dipyridin-4-ylpropane-1,3-diamine;6-pyridin-4-yl-N-(2-pyridin-4-ylethyl)hexan-1-amine is sourced from PubChem (CID 160982884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).