5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine

C13H22N4 — CID 104534038

IUPAC5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
SMILESCC(C)N1CCC(CNc2cncc(N)c2)C1
InChIInChI=1S/C13H22N4/c1-10(2)17-4-3-11(9-17)6-16-13-5-12(14)7-15-8-13/h5,7-8,10-11,16H,3-4,6,9,14H2,1-2H3
InChIKeyZRLJVRUNTHZOOU-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.81
Rot. Bonds4

About 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine

5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine (PubChem CID 104534038) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
PubChem CID104534038
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
SMILESCC(C)N1CCC(CNc2cncc(N)c2)C1
InChIInChI=1S/C13H22N4/c1-10(2)17-4-3-11(9-17)6-16-13-5-12(14)7-15-8-13/h5,7-8,10-11,16H,3-4,6,9,14H2,1-2H3
InChIKeyZRLJVRUNTHZOOU-UHFFFAOYSA-N
XLogP1.81
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-3-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,3-diamine
CID 80739390
2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 63676271
2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80957220
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-2-carbothioamide
CID 55156663
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592
4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
CID 103590249
2-chloro-5-methyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 115554823
3-fluoro-5-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzonitrile
CID 102816061
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601208
6-methoxy-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2,3-diamine
CID 115320664
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine?
The IUPAC name of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine (CID 104534038) is 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine.
What is the SMILES notation for 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine?
The canonical SMILES for 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine is CC(C)N1CCC(CNc2cncc(N)c2)C1.
What is the InChIKey of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine?
The InChIKey is ZRLJVRUNTHZOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(2)17-4-3-11(9-17)6-16-13-5-12(14)7-15-8-13/h5,7-8,10-11,16H,3-4,6,9,14H2,1-2H3.
What are the key properties of 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine?
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine is sourced from PubChem (CID 104534038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).