3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine

C12H20N4 — CID 79461219

IUPAC3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NC1CCC(N)C1
InChIInChI=1S/C12H20N4/c1-16(2)12-5-6-14-8-11(12)15-10-4-3-9(13)7-10/h5-6,8-10,15H,3-4,7,13H2,1-2H3
InChIKeyZWCJETGERQCPDL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.44
Rot. Bonds3

About 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 79461219) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID79461219
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NC1CCC(N)C1
InChIInChI=1S/C12H20N4/c1-16(2)12-5-6-14-8-11(12)15-10-4-3-9(13)7-10/h5-6,8-10,15H,3-4,7,13H2,1-2H3
InChIKeyZWCJETGERQCPDL-UHFFFAOYSA-N
XLogP1.44
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine (CID 79461219) is 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine is CN(C)c1ccncc1NC1CCC(N)C1.
What is the InChIKey of 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is ZWCJETGERQCPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16(2)12-5-6-14-8-11(12)15-10-4-3-9(13)7-10/h5-6,8-10,15H,3-4,7,13H2,1-2H3.
What are the key properties of 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminocyclopentyl)-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 79461219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).