5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine

C13H21N3 — CID 43697513

IUPAC5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCC2CC2)cn1
InChIInChI=1S/C13H21N3/c1-3-16(4-2)13-8-7-12(10-15-13)14-9-11-5-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyRJFPSENQHHYZPJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.75
Rot. Bonds6

About 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine

5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine (PubChem CID 43697513) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
PubChem CID43697513
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCC2CC2)cn1
InChIInChI=1S/C13H21N3/c1-3-16(4-2)13-8-7-12(10-15-13)14-9-11-5-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyRJFPSENQHHYZPJ-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
N-2-Pyridylaniline
CID 81130
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-Dimethylaminopyridine
CID 21885
2-Pyridinamine, N-methyl-
CID 20727
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
CID 43344
3-Pyridyl pinacidil
CID 43347

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine?
The IUPAC name of 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine (CID 43697513) is 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine is CCN(CC)c1ccc(NCC2CC2)cn1.
What is the InChIKey of 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine?
The InChIKey is RJFPSENQHHYZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-16(4-2)13-8-7-12(10-15-13)14-9-11-5-6-11/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine?
5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine is sourced from PubChem (CID 43697513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).