1,3,5-tripyridin-4-ylhexane-1,6-diamine

C21H25N5 — CID 123648910

IUPAC1,3,5-tripyridin-4-ylhexane-1,6-diamine
SMILESNCC(CC(CC(N)c1ccncc1)c1ccncc1)c1ccncc1
InChIInChI=1S/C21H25N5/c22-15-20(17-3-9-25-10-4-17)13-19(16-1-7-24-8-2-16)14-21(23)18-5-11-26-12-6-18/h1-12,19-21H,13-15,22-23H2
InChIKeyNJYSXEJGCZECFU-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.18
Rot. Bonds8

About 1,3,5-tripyridin-4-ylhexane-1,6-diamine

1,3,5-tripyridin-4-ylhexane-1,6-diamine (PubChem CID 123648910) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 1,3,5-tripyridin-4-ylhexane-1,6-diamine.

Molecular Properties

Compound Name1,3,5-tripyridin-4-ylhexane-1,6-diamine
PubChem CID123648910
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name1,3,5-tripyridin-4-ylhexane-1,6-diamine
SMILESNCC(CC(CC(N)c1ccncc1)c1ccncc1)c1ccncc1
InChIInChI=1S/C21H25N5/c22-15-20(17-3-9-25-10-4-17)13-19(16-1-7-24-8-2-16)14-21(23)18-5-11-26-12-6-18/h1-12,19-21H,13-15,22-23H2
InChIKeyNJYSXEJGCZECFU-UHFFFAOYSA-N
XLogP3.18
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171200262
(1S)-1-pyridin-4-ylpropane-1,3-diamine;hydrochloride
CID 171219797
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine
CID 82107787
(1R)-1-pyridin-4-ylpentane-1,5-diamine;hydrochloride
CID 171200265
2-fluoro-2-pyridin-4-ylethanamine
CID 83854923
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
CID 82107783
N'-cyclopentyl-2-pyridin-4-ylpropane-1,3-diamine
CID 117246505
3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine
CID 117246513
1-pyridin-4-ylpent-3-yn-1-amine
CID 62311977

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tripyridin-4-ylhexane-1,6-diamine?
The IUPAC name of 1,3,5-tripyridin-4-ylhexane-1,6-diamine (CID 123648910) is 1,3,5-tripyridin-4-ylhexane-1,6-diamine.
What is the SMILES notation for 1,3,5-tripyridin-4-ylhexane-1,6-diamine?
The canonical SMILES for 1,3,5-tripyridin-4-ylhexane-1,6-diamine is NCC(CC(CC(N)c1ccncc1)c1ccncc1)c1ccncc1.
What is the InChIKey of 1,3,5-tripyridin-4-ylhexane-1,6-diamine?
The InChIKey is NJYSXEJGCZECFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c22-15-20(17-3-9-25-10-4-17)13-19(16-1-7-24-8-2-16)14-21(23)18-5-11-26-12-6-18/h1-12,19-21H,13-15,22-23H2.
What are the key properties of 1,3,5-tripyridin-4-ylhexane-1,6-diamine?
1,3,5-tripyridin-4-ylhexane-1,6-diamine has a molecular weight of 347.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tripyridin-4-ylhexane-1,6-diamine is sourced from PubChem (CID 123648910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).