6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine

C12H20N4 — CID 80646711

IUPAC6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
SMILESNc1cccc(NCCCN2CCCC2)n1
InChIInChI=1S/C12H20N4/c13-11-5-3-6-12(15-11)14-7-4-10-16-8-1-2-9-16/h3,5-6H,1-2,4,7-10H2,(H3,13,14,15)
InChIKeyAPURTWSWMIMQCE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.56
Rot. Bonds5

About 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine

6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine (PubChem CID 80646711) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
PubChem CID80646711
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
SMILESNc1cccc(NCCCN2CCCC2)n1
InChIInChI=1S/C12H20N4/c13-11-5-3-6-12(15-11)14-7-4-10-16-8-1-2-9-16/h3,5-6H,1-2,4,7-10H2,(H3,13,14,15)
InChIKeyAPURTWSWMIMQCE-UHFFFAOYSA-N
XLogP1.56
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 80914696
6-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridine-2,6-diamine
CID 80647391
6-N-(3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718410
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80647967
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
4-[(6-amino-2-pyridinyl)amino]butan-1-ol
CID 106846869
2-N-methyl-6-N-(2-pyrrolidin-1-ylethyl)pyridine-2,6-diamine
CID 80832526
N-[2-(azepan-1-yl)ethyl]-6-chloropyridin-2-amine
CID 107257793
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 114046561
6-N-(3-methoxypropyl)pyridine-2,6-diamine
CID 80647839
2-[(6-amino-2-pyridinyl)amino]ethanol
CID 66907238

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine (CID 80646711) is 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine is Nc1cccc(NCCCN2CCCC2)n1.
What is the InChIKey of 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
The InChIKey is APURTWSWMIMQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-11-5-3-6-12(15-11)14-7-4-10-16-8-1-2-9-16/h3,5-6H,1-2,4,7-10H2,(H3,13,14,15).
What are the key properties of 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine?
6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine is sourced from PubChem (CID 80646711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).