2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine

C13H22N4 — CID 83116516

IUPAC2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
SMILESCN(C)C1(CNc2cc(N)ccn2)CCCC1
InChIInChI=1S/C13H22N4/c1-17(2)13(6-3-4-7-13)10-16-12-9-11(14)5-8-15-12/h5,8-9H,3-4,6-7,10H2,1-2H3,(H3,14,15,16)
InChIKeyXSMGQXHTGZMIBT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.95
Rot. Bonds4

About 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine

2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine (PubChem CID 83116516) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
PubChem CID83116516
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
SMILESCN(C)C1(CNc2cc(N)ccn2)CCCC1
InChIInChI=1S/C13H22N4/c1-17(2)13(6-3-4-7-13)10-16-12-9-11(14)5-8-15-12/h5,8-9H,3-4,6-7,10H2,1-2H3,(H3,14,15,16)
InChIKeyXSMGQXHTGZMIBT-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine (CID 83116516) is 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine is CN(C)C1(CNc2cc(N)ccn2)CCCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
The InChIKey is XSMGQXHTGZMIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17(2)13(6-3-4-7-13)10-16-12-9-11(14)5-8-15-12/h5,8-9H,3-4,6-7,10H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine?
2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine is sourced from PubChem (CID 83116516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).