N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

C17H33N3 — CID 62512945

IUPACN-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(C2CCN3CCCCC23)C1
InChIInChI=1S/C17H33N3/c1-14(2)11-18-12-15-6-9-20(13-15)17-7-10-19-8-4-3-5-16(17)19/h14-18H,3-13H2,1-2H3
InChIKeyNLLWIAFWIUZANC-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62512945) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62512945
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCN(C2CCN3CCCCC23)C1
InChIInChI=1S/C17H33N3/c1-14(2)11-18-12-15-6-9-20(13-15)17-7-10-19-8-4-3-5-16(17)19/h14-18H,3-13H2,1-2H3
InChIKeyNLLWIAFWIUZANC-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[1-(2-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081632
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]cyclohexan-1-ol
CID 55257021
2-methyl-N-[[1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 79358955
2-methyl-N-[[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081254
2-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62591662
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81005677
N-[[1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 83028563
2-[3-(methylaminomethyl)pyrrolidin-1-yl]cyclohexan-1-ol
CID 63267923
N-[[1-(2-cyclopentyloxyethyl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 63829128
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62593255
1,1,1-trifluoro-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899673
2-methyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63937896

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62512945) is N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCN(C2CCN3CCCCC23)C1.
What is the InChIKey of N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is NLLWIAFWIUZANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-14(2)11-18-12-15-6-9-20(13-15)17-7-10-19-8-4-3-5-16(17)19/h14-18H,3-13H2,1-2H3.
What are the key properties of N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62512945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).