4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine

C10H18N2 — CID 158277648

IUPAC4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine
SMILESCC1=CC(C)=C(C(C)C)C(N)N1
InChIInChI=1S/C10H18N2/c1-6(2)9-7(3)5-8(4)12-10(9)11/h5-6,10,12H,11H2,1-4H3
InChIKeyNTKJEQHYMYRXGB-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.75
Rot. Bonds1

About 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine

4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine (PubChem CID 158277648) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine
PubChem CID158277648
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine
SMILESCC1=CC(C)=C(C(C)C)C(N)N1
InChIInChI=1S/C10H18N2/c1-6(2)9-7(3)5-8(4)12-10(9)11/h5-6,10,12H,11H2,1-4H3
InChIKeyNTKJEQHYMYRXGB-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine?
The IUPAC name of 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine (CID 158277648) is 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine is CC1=CC(C)=C(C(C)C)C(N)N1.
What is the InChIKey of 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine?
The InChIKey is NTKJEQHYMYRXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-6(2)9-7(3)5-8(4)12-10(9)11/h5-6,10,12H,11H2,1-4H3.
What are the key properties of 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine?
4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine has a molecular weight of 166.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-propan-2-yl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 158277648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).