6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine

C15H21N3 — CID 177235602

IUPAC6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine
SMILESCC1(C)CN(C(C)(C)C#Cc2ccc(N)cn2)C1
InChIInChI=1S/C15H21N3/c1-14(2)10-18(11-14)15(3,4)8-7-13-6-5-12(16)9-17-13/h5-6,9H,10-11,16H2,1-4H3
InChIKeyRRNDMSHDDZCSSJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.14
Rot. Bonds1

About 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine

6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine (PubChem CID 177235602) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine
PubChem CID177235602
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine
SMILESCC1(C)CN(C(C)(C)C#Cc2ccc(N)cn2)C1
InChIInChI=1S/C15H21N3/c1-14(2)10-18(11-14)15(3,4)8-7-13-6-5-12(16)9-17-13/h5-6,9H,10-11,16H2,1-4H3
InChIKeyRRNDMSHDDZCSSJ-UHFFFAOYSA-N
XLogP2.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 59853066
2-(5-amino-2-pyridinyl)ethynyl thiohypoiodite
CID 126760892
1-[3-(5-amino-2-pyridinyl)prop-2-ynyl]pyrrolidine-2,5-dione
CID 177235683
6-(1-methylcyclobutyl)pyridin-3-amine
CID 155476292
6-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 21484140
6-(1,1-difluoroethyl)pyridin-3-amine
CID 84716660
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771
6-[4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]but-1-ynyl]pyridin-3-amine
CID 67550073
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
6-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]pyridin-3-amine
CID 121203411
2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120629776

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine?
The IUPAC name of 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine (CID 177235602) is 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine.
What is the SMILES notation for 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine?
The canonical SMILES for 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine is CC1(C)CN(C(C)(C)C#Cc2ccc(N)cn2)C1.
What is the InChIKey of 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine?
The InChIKey is RRNDMSHDDZCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-14(2)10-18(11-14)15(3,4)8-7-13-6-5-12(16)9-17-13/h5-6,9H,10-11,16H2,1-4H3.
What are the key properties of 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine?
6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine has a molecular weight of 243.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3,3-dimethylazetidin-1-yl)-3-methylbut-1-ynyl]pyridin-3-amine is sourced from PubChem (CID 177235602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).