N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C13H19N3 — CID 43752244

IUPACN-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1cncc(CNC2CCN3CCCC23)c1
InChIInChI=1S/C13H19N3/c1-3-11(9-14-6-1)10-15-12-5-8-16-7-2-4-13(12)16/h1,3,6,9,12-13,15H,2,4-5,7-8,10H2
InChIKeyRALXDLVOAVBSHW-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.41
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752244) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752244
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESc1cncc(CNC2CCN3CCCC23)c1
InChIInChI=1S/C13H19N3/c1-3-11(9-14-6-1)10-15-12-5-8-16-7-2-4-13(12)16/h1,3,6,9,12-13,15H,2,4-5,7-8,10H2
InChIKeyRALXDLVOAVBSHW-UHFFFAOYSA-N
XLogP1.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728477
(3R,4S)-1,1-dioxo-4-piperidin-1-yl-N-(pyridin-3-ylmethyl)thiolan-3-amine
CID 97213833
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
CID 43752315
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62824077
2-phenyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43769450
[2-(pyridin-3-ylmethylamino)cyclohexyl]methanol
CID 111440219
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752244) is N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is c1cncc(CNC2CCN3CCCC23)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is RALXDLVOAVBSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-11(9-14-6-1)10-15-12-5-8-16-7-2-4-13(12)16/h1,3,6,9,12-13,15H,2,4-5,7-8,10H2.
What are the key properties of N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 217.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).