(4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine

C10H18N2 — CID 70235880

IUPAC(4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine
SMILESCC(C)(C)C1=CCNC(CN)=C1
InChIInChI=1S/C10H18N2/c1-10(2,3)8-4-5-12-9(6-8)7-11/h4,6,12H,5,7,11H2,1-3H3
InChIKeySWRPQPQTWLGOGC-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.40
Rot. Bonds1

About (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine

(4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine (PubChem CID 70235880) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine
PubChem CID70235880
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine
SMILESCC(C)(C)C1=CCNC(CN)=C1
InChIInChI=1S/C10H18N2/c1-10(2,3)8-4-5-12-9(6-8)7-11/h4,6,12H,5,7,11H2,1-3H3
InChIKeySWRPQPQTWLGOGC-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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-6-yl)methanamine?
The IUPAC name of (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine (CID 70235880) is (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine?
The canonical SMILES for (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine is CC(C)(C)C1=CCNC(CN)=C1.
What is the InChIKey of (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine?
The InChIKey is SWRPQPQTWLGOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-10(2,3)8-4-5-12-9(6-8)7-11/h4,6,12H,5,7,11H2,1-3H3.
What are the key properties of (4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine?
(4-tert-butyl-1,2-dihydropyridin-6-yl)methanamine has a molecular weight of 166.27 g/mol, XLogP of 1.40, 1 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-6-yl)methanamine is sourced from PubChem (CID 70235880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).