N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine

C10H18N2 — CID 166650122

IUPACN-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine
SMILESCC1CC=NC=C1NC(C)(C)C
InChIInChI=1S/C10H18N2/c1-8-5-6-11-7-9(8)12-10(2,3)4/h6-8,12H,5H2,1-4H3
InChIKeyDHHNPASDOMZHFG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.33
Rot. Bonds1

About N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine

N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine (PubChem CID 166650122) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine
PubChem CID166650122
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine
SMILESCC1CC=NC=C1NC(C)(C)C
InChIInChI=1S/C10H18N2/c1-8-5-6-11-7-9(8)12-10(2,3)4/h6-8,12H,5H2,1-4H3
InChIKeyDHHNPASDOMZHFG-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine?
The IUPAC name of N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine (CID 166650122) is N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine?
The canonical SMILES for N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine is CC1CC=NC=C1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine?
The InChIKey is DHHNPASDOMZHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-5-6-11-7-9(8)12-10(2,3)4/h6-8,12H,5H2,1-4H3.
What are the key properties of N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine?
N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine has a molecular weight of 166.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 166650122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).