2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine

C10H19N3 — CID 90845799

IUPAC2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine
SMILESCC1=CC(NC(C)(C)N)=NC(C)C1
InChIInChI=1S/C10H19N3/c1-7-5-8(2)12-9(6-7)13-10(3,4)11/h6,8H,5,11H2,1-4H3,(H,12,13)
InChIKeyPASQKLNKFWOASU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds1

About 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine

2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine (PubChem CID 90845799) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine.

Molecular Properties

Compound Name2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine
PubChem CID90845799
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine
SMILESCC1=CC(NC(C)(C)N)=NC(C)C1
InChIInChI=1S/C10H19N3/c1-7-5-8(2)12-9(6-7)13-10(3,4)11/h6,8H,5,11H2,1-4H3,(H,12,13)
InChIKeyPASQKLNKFWOASU-UHFFFAOYSA-N
XLogP1.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine?
The IUPAC name of 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine (CID 90845799) is 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine.
What is the SMILES notation for 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine?
The canonical SMILES for 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine is CC1=CC(NC(C)(C)N)=NC(C)C1.
What is the InChIKey of 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine?
The InChIKey is PASQKLNKFWOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7-5-8(2)12-9(6-7)13-10(3,4)11/h6,8H,5,11H2,1-4H3,(H,12,13).
What are the key properties of 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine?
2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(2,4-dimethyl-2,3-dihydropyridin-6-yl)propane-2,2-diamine is sourced from PubChem (CID 90845799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).