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

C14H27N3 — CID 80554243

IUPACN-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CNCC(CNC2CCN3CCCCC23)C1
InChIInChI=1S/C14H27N3/c1-2-8-17-9-6-13(14(17)5-1)16-11-12-4-3-7-15-10-12/h12-16H,1-11H2
InChIKeyRRMKNDKATJWVNI-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.20
Rot. Bonds3

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

N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 80554243) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID80554243
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESC1CNCC(CNC2CCN3CCCCC23)C1
InChIInChI=1S/C14H27N3/c1-2-8-17-9-6-13(14(17)5-1)16-11-12-4-3-7-15-10-12/h12-16H,1-11H2
InChIKeyRRMKNDKATJWVNI-UHFFFAOYSA-N
XLogP1.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104574898
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]cyclopentan-1-ol
CID 106120890
2-methyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80553082
N-(piperidin-3-ylmethyl)cyclododecanamine
CID 83958102
[2-(piperidin-3-ylmethylamino)cyclohexyl]methanol
CID 106359738
1-(1,5-diazocan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 54977827
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]cyclopentan-1-ol
CID 106120741
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)piperidine-3-carboxamide
CID 43696376
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 79611466
[2-(piperidin-3-ylmethylamino)cyclopentyl]methanol
CID 106359502
N-(piperidin-3-ylmethyl)pyrrolidin-2-amine
CID 105440865
N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62311545

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 80554243) is N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is C1CNCC(CNC2CCN3CCCCC23)C1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is RRMKNDKATJWVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-8-17-9-6-13(14(17)5-1)16-11-12-4-3-7-15-10-12/h12-16H,1-11H2.
What are the key properties of N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 237.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 80554243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).