N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine

C17H27N3 — CID 105073842

IUPACN-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H27N3/c1-2-18-13-15-5-10-19-14-16(15)20-11-8-17(9-12-20)6-3-4-7-17/h5,10,14,18H,2-4,6-9,11-13H2,1H3
InChIKeyRWJMDFQYSYTBPC-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.35
Rot. Bonds4

About N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine

N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 105073842) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID105073842
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H27N3/c1-2-18-13-15-5-10-19-14-16(15)20-11-8-17(9-12-20)6-3-4-7-17/h5,10,14,18H,2-4,6-9,11-13H2,1H3
InChIKeyRWJMDFQYSYTBPC-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 105073768
N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 81253435
N-[(3-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 105072608
N-[[3-(4-methylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105073924
N-[[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methyl]ethanamine
CID 105074044
N-[(4-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
CID 81248447
N-[[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105072687
N-[[3-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-1-amine
CID 107459559
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
CID 114288647
N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine
CID 63158568
N-[[3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 102728438

Frequently Asked Questions

What is the IUPAC name of N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine (CID 105073842) is N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1N1CCC2(CCCC2)CC1.
What is the InChIKey of N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is RWJMDFQYSYTBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-18-13-15-5-10-19-14-16(15)20-11-8-17(9-12-20)6-3-4-7-17/h5,10,14,18H,2-4,6-9,11-13H2,1H3.
What are the key properties of N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine?
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105073842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).