4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine

C11H23N3 — CID 130216754

IUPAC4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine
SMILESCNC1=C(N)CN(C(C)C)CC1(C)C
InChIInChI=1S/C11H23N3/c1-8(2)14-6-9(12)10(13-5)11(3,4)7-14/h8,13H,6-7,12H2,1-5H3
InChIKeyDQEJQGPXUOZRGY-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.13
Rot. Bonds2

About 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine

4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine (PubChem CID 130216754) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine.

Molecular Properties

Compound Name4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine
PubChem CID130216754
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine
SMILESCNC1=C(N)CN(C(C)C)CC1(C)C
InChIInChI=1S/C11H23N3/c1-8(2)14-6-9(12)10(13-5)11(3,4)7-14/h8,13H,6-7,12H2,1-5H3
InChIKeyDQEJQGPXUOZRGY-UHFFFAOYSA-N
XLogP1.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine?
The IUPAC name of 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine (CID 130216754) is 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine.
What is the SMILES notation for 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine?
The canonical SMILES for 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine is CNC1=C(N)CN(C(C)C)CC1(C)C.
What is the InChIKey of 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine?
The InChIKey is DQEJQGPXUOZRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8(2)14-6-9(12)10(13-5)11(3,4)7-14/h8,13H,6-7,12H2,1-5H3.
What are the key properties of 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine?
4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5,5-trimethyl-1-propan-2-yl-2,6-dihydropyridine-3,4-diamine is sourced from PubChem (CID 130216754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).