6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine

C13H22N4 — CID 83117229

IUPAC6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
SMILESCN(C)C1(CNc2cccc(N)n2)CCCC1
InChIInChI=1S/C13H22N4/c1-17(2)13(8-3-4-9-13)10-15-12-7-5-6-11(14)16-12/h5-7H,3-4,8-10H2,1-2H3,(H3,14,15,16)
InChIKeyIWTYHBGBPBWJTL-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.95
Rot. Bonds4

About 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine

6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine (PubChem CID 83117229) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
PubChem CID83117229
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine
SMILESCN(C)C1(CNc2cccc(N)n2)CCCC1
InChIInChI=1S/C13H22N4/c1-17(2)13(8-3-4-9-13)10-15-12-7-5-6-11(14)16-12/h5-7H,3-4,8-10H2,1-2H3,(H3,14,15,16)
InChIKeyIWTYHBGBPBWJTL-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 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine (CID 83117229) is 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine is CN(C)C1(CNc2cccc(N)n2)CCCC1.
What is the InChIKey of 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
The InChIKey is IWTYHBGBPBWJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-17(2)13(8-3-4-9-13)10-15-12-7-5-6-11(14)16-12/h5-7H,3-4,8-10H2,1-2H3,(H3,14,15,16).
What are the key properties of 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine?
6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-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 6-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,6-diamine is sourced from PubChem (CID 83117229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).