5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine

C16H29N3 — CID 43690375

IUPAC5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(C)CC(CC(C)C)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C16H29N3/c1-12(2)9-15(10-13(3)4)18-14-7-8-16(17-11-14)19(5)6/h7-8,11-13,15,18H,9-10H2,1-6H3
InChIKeyQGNRYTDMKIHHHQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.02
Rot. Bonds7

About 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43690375) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43690375
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCC(C)CC(CC(C)C)Nc1ccc(N(C)C)nc1
InChIInChI=1S/C16H29N3/c1-12(2)9-15(10-13(3)4)18-14-7-8-16(17-11-14)19(5)6/h7-8,11-13,15,18H,9-10H2,1-6H3
InChIKeyQGNRYTDMKIHHHQ-UHFFFAOYSA-N
XLogP4.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
2-(Benzylamino)pyridine
CID 23362
1-(2-Pyridyl)piperazine
CID 94459
N-2-Pyridylaniline
CID 81130
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
2-Pyridinamine, N-methyl-
CID 20727
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
CID 43344

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43690375) is 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine is CC(C)CC(CC(C)C)Nc1ccc(N(C)C)nc1.
What is the InChIKey of 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is QGNRYTDMKIHHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)9-15(10-13(3)4)18-14-7-8-16(17-11-14)19(5)6/h7-8,11-13,15,18H,9-10H2,1-6H3.
What are the key properties of 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 263.43 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-dimethylheptan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43690375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).