N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C14H21N3 — CID 112728477

IUPACN-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESc1cncc(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C14H21N3/c1-3-12(10-15-6-1)11-16-13-5-8-17-7-2-4-14(17)9-13/h1,3,6,10,13-14,16H,2,4-5,7-9,11H2
InChIKeyUIGFHCMSLSHBDP-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.80
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 112728477) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID112728477
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESc1cncc(CNC2CCN3CCCC3C2)c1
InChIInChI=1S/C14H21N3/c1-3-12(10-15-6-1)11-16-13-5-8-17-7-2-4-14(17)9-13/h1,3,6,10,13-14,16H,2,4-5,7-9,11H2
InChIKeyUIGFHCMSLSHBDP-UHFFFAOYSA-N
XLogP1.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728504
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
N-[(3-bromo-4-chlorophenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 83235904
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
(3R)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71636735
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 112728477) is N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is c1cncc(CNC2CCN3CCCC3C2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is UIGFHCMSLSHBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-12(10-15-6-1)11-16-13-5-8-17-7-2-4-14(17)9-13/h1,3,6,10,13-14,16H,2,4-5,7-9,11H2.
What are the key properties of N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(pyridin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 231.34 g/mol, XLogP of 1.80, 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)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 112728477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).