3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine

C13H22N4 — CID 113423980

IUPAC3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCN2CCCC2)c1
InChIInChI=1S/C13H22N4/c1-2-15-12-9-13(11-14-10-12)16-5-8-17-6-3-4-7-17/h9-11,15-16H,2-8H2,1H3
InChIKeyDZRDINFJJHRSAC-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.02
Rot. Bonds6

About 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine (PubChem CID 113423980) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
PubChem CID113423980
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCCN2CCCC2)c1
InChIInChI=1S/C13H22N4/c1-2-15-12-9-13(11-14-10-12)16-5-8-17-6-3-4-7-17/h9-11,15-16H,2-8H2,1H3
InChIKeyDZRDINFJJHRSAC-UHFFFAOYSA-N
XLogP2.02
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309
3-N-methyl-5-N-(2-morpholin-4-ylethyl)pyridine-3,5-diamine
CID 104532718
1-N-ethyl-5-nitro-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80785577
5-N-butyl-3-N-ethylpyridine-3,5-diamine
CID 104532629
3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82079424
6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-4-amine
CID 114478103
3-N-ethyl-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-diamine
CID 104534517
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
3,5-dichloro-2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 102757956
3-N-ethyl-5-N-(2-ethylsulfonylethyl)pyridine-3,5-diamine
CID 114112659
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
CID 104533592
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine (CID 113423980) is 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine is CCNc1cncc(NCCN2CCCC2)c1.
What is the InChIKey of 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine?
The InChIKey is DZRDINFJJHRSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-15-12-9-13(11-14-10-12)16-5-8-17-6-3-4-7-17/h9-11,15-16H,2-8H2,1H3.
What are the key properties of 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine is sourced from PubChem (CID 113423980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).