4-tert-butyl-1,2-dihydropyridin-2-amine

C9H16N2 — CID 126634720

IUPAC4-tert-butyl-1,2-dihydropyridin-2-amine
SMILESCC(C)(C)C1=CC(N)NC=C1
InChIInChI=1S/C9H16N2/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6,8,11H,10H2,1-3H3
InChIKeyFCULHCOYOBTLHZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.36
Rot. Bonds

About 4-tert-butyl-1,2-dihydropyridin-2-amine

4-tert-butyl-1,2-dihydropyridin-2-amine (PubChem CID 126634720) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-1,2-dihydropyridin-2-amine
PubChem CID126634720
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-tert-butyl-1,2-dihydropyridin-2-amine
SMILESCC(C)(C)C1=CC(N)NC=C1
InChIInChI=1S/C9H16N2/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6,8,11H,10H2,1-3H3
InChIKeyFCULHCOYOBTLHZ-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dihydropyridin-2-amine?
The IUPAC name of 4-tert-butyl-1,2-dihydropyridin-2-amine (CID 126634720) is 4-tert-butyl-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 4-tert-butyl-1,2-dihydropyridin-2-amine?
The canonical SMILES for 4-tert-butyl-1,2-dihydropyridin-2-amine is CC(C)(C)C1=CC(N)NC=C1.
What is the InChIKey of 4-tert-butyl-1,2-dihydropyridin-2-amine?
The InChIKey is FCULHCOYOBTLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)7-4-5-11-8(10)6-7/h4-6,8,11H,10H2,1-3H3.
What are the key properties of 4-tert-butyl-1,2-dihydropyridin-2-amine?
4-tert-butyl-1,2-dihydropyridin-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 126634720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).