N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine

C19H34N2O — CID 155331536

IUPACN-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine
SMILESCC(C)(C)CCC1=CNC(OC2CC(NC(C)(C)C)C2)C=C1
InChIInChI=1S/C19H34N2O/c1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6/h7-8,13,15-17,20-21H,9-12H2,1-6H3
InChIKeyAHHFBWWNGHLTJY-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.12
Rot. Bonds5

About N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine

N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine (PubChem CID 155331536) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine
PubChem CID155331536
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine
SMILESCC(C)(C)CCC1=CNC(OC2CC(NC(C)(C)C)C2)C=C1
InChIInChI=1S/C19H34N2O/c1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6/h7-8,13,15-17,20-21H,9-12H2,1-6H3
InChIKeyAHHFBWWNGHLTJY-UHFFFAOYSA-N
XLogP4.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine?
The IUPAC name of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine (CID 155331536) is N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine?
The canonical SMILES for N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine is CC(C)(C)CCC1=CNC(OC2CC(NC(C)(C)C)C2)C=C1.
What is the InChIKey of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine?
The InChIKey is AHHFBWWNGHLTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-18(2,3)10-9-14-7-8-17(20-13-14)22-16-11-15(12-16)21-19(4,5)6/h7-8,13,15-17,20-21H,9-12H2,1-6H3.
What are the key properties of N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine?
N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine has a molecular weight of 306.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[5-(3,3-dimethylbutyl)-1,2-dihydropyridin-2-yl]oxy]cyclobutan-1-amine is sourced from PubChem (CID 155331536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).