1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine

C28H39N5 — CID 91282889

IUPAC1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine
SMILESCCCCCCCCC(CNCc1ccccn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C28H39N5/c1-2-3-4-5-6-7-17-28(22-29-21-25-14-8-11-18-30-25)33(23-26-15-9-12-19-31-26)24-27-16-10-13-20-32-27/h8-16,18-20,28-29H,2-7,17,21-24H2,1H3
InChIKeyVLSDNUBXZGCBQO-UHFFFAOYSA-N
MW445.66 g/mol
LogP5.78
Rot. Bonds16

About 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine

1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine (PubChem CID 91282889) has the molecular formula C28H39N5 and a molecular weight of 445.66 g/mol. Its IUPAC name is 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine
PubChem CID91282889
Molecular FormulaC28H39N5
Molecular Weight445.66 g/mol
Exact Mass445.32
IUPAC Name1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine
SMILESCCCCCCCCC(CNCc1ccccn1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C28H39N5/c1-2-3-4-5-6-7-17-28(22-29-21-25-14-8-11-18-30-25)33(23-26-15-9-12-19-31-26)24-27-16-10-13-20-32-27/h8-16,18-20,28-29H,2-7,17,21-24H2,1H3
InChIKeyVLSDNUBXZGCBQO-UHFFFAOYSA-N
XLogP5.78
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.66
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
N-(pyridin-2-ylmethyl)octan-2-amine
CID 43085262
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
4-[[heptan-3-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 23507494
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 55089385
2-(2-chlorononyl)pyridine
CID 66459167
2-(2-bromodecyl)pyridine
CID 66452883
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
(2S)-2-[dodecyl(pyridin-2-ylmethyl)amino]-2-phenylethanol
CID 11741478
2-undecylpyridine
CID 66882765

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine (CID 91282889) is 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine is CCCCCCCCC(CNCc1ccccn1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine?
The InChIKey is VLSDNUBXZGCBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5/c1-2-3-4-5-6-7-17-28(22-29-21-25-14-8-11-18-30-25)33(23-26-15-9-12-19-31-26)24-27-16-10-13-20-32-27/h8-16,18-20,28-29H,2-7,17,21-24H2,1H3.
What are the key properties of 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine?
1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine has a molecular weight of 445.66 g/mol, XLogP of 5.78, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-tris(pyridin-2-ylmethyl)decane-1,2-diamine is sourced from PubChem (CID 91282889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).