N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine

C18H29N3 — CID 105073768

IUPACN-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-2-19-14-16-6-11-20-15-17(16)21-12-9-18(10-13-21)7-4-3-5-8-18/h6,11,15,19H,2-5,7-10,12-14H2,1H3
InChIKeyBJXYXMLENQZPAL-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.74
Rot. Bonds4

About N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine

N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 105073768) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID105073768
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-2-19-14-16-6-11-20-15-17(16)21-12-9-18(10-13-21)7-4-3-5-8-18/h6,11,15,19H,2-5,7-10,12-14H2,1H3
InChIKeyBJXYXMLENQZPAL-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842
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-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
N-[[4-(8-azaspiro[4.5]decan-8-yl)-2-methylphenyl]methyl]ethanamine
CID 63158568

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine (CID 105073768) is N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1N1CCC2(CCCCC2)CC1.
What is the InChIKey of N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is BJXYXMLENQZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-19-14-16-6-11-20-15-17(16)21-12-9-18(10-13-21)7-4-3-5-8-18/h6,11,15,19H,2-5,7-10,12-14H2,1H3.
What are the key properties of N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine?
N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105073768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).