5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine

C16H29N3 — CID 104535385

IUPAC5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCCCCC(C)(C)CNc1cncc(NCC)c1
InChIInChI=1S/C16H29N3/c1-5-7-8-9-16(3,4)13-19-15-10-14(18-6-2)11-17-12-15/h10-12,18-19H,5-9,13H2,1-4H3
InChIKeyQDAGNCNMRZNEKA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.53
Rot. Bonds9

About 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine

5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104535385) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104535385
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCCCCC(C)(C)CNc1cncc(NCC)c1
InChIInChI=1S/C16H29N3/c1-5-7-8-9-16(3,4)13-19-15-10-14(18-6-2)11-17-12-15/h10-12,18-19H,5-9,13H2,1-4H3
InChIKeyQDAGNCNMRZNEKA-UHFFFAOYSA-N
XLogP4.53
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine
CID 106296062
N-ethyl-5-octoxypyridin-3-amine
CID 113424296
N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine
CID 106549868
4-[(5-amino-3-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149745
2-methyl-1-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106296396
N-(2,2-dimethylheptyl)-3-hydrazinyl-5-nitroaniline
CID 80929398
5-N-ethylpyridine-3,5-diamine
CID 104532571
3-bromo-5-(2,2-dimethylheptylamino)benzoic acid
CID 102823205
3-(2,2-dimethylheptylamino)benzonitrile
CID 102816906
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
CID 102751554

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine (CID 104535385) is 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine is CCCCCC(C)(C)CNc1cncc(NCC)c1.
What is the InChIKey of 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is QDAGNCNMRZNEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-7-8-9-16(3,4)13-19-15-10-14(18-6-2)11-17-12-15/h10-12,18-19H,5-9,13H2,1-4H3.
What are the key properties of 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine has a molecular weight of 263.43 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylheptyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104535385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).