N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C14H21N3 — CID 112741845

IUPACN-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1ccnc(C)c1NC1CCN2CCCC12
InChIInChI=1S/C14H21N3/c1-10-5-7-15-11(2)14(10)16-12-6-9-17-8-3-4-13(12)17/h5,7,12-13,16H,3-4,6,8-9H2,1-2H3
InChIKeyUUQBYCTZBWTJSR-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.35
Rot. Bonds2

About N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 112741845) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID112741845
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCc1ccnc(C)c1NC1CCN2CCCC12
InChIInChI=1S/C14H21N3/c1-10-5-7-15-11(2)14(10)16-12-6-9-17-8-3-4-13(12)17/h5,7,12-13,16H,3-4,6,8-9H2,1-2H3
InChIKeyUUQBYCTZBWTJSR-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

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Related Compounds

4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828902
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62133317
N-(2,5-difluoro-4-methylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 103584698
2-N-ethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyridine-2,4-diamine
CID 113367655
N-(1,3-dimethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 102804021
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828705
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylquinolin-2-amine
CID 63229349
N-(2-pyrrolidin-1-yl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824696
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine
CID 116795790
N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62482243

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 112741845) is N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Cc1ccnc(C)c1NC1CCN2CCCC12.
What is the InChIKey of N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is UUQBYCTZBWTJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-5-7-15-11(2)14(10)16-12-6-9-17-8-3-4-13(12)17/h5,7,12-13,16H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 112741845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).