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

C18H29N3 — CID 81253435

IUPACN-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-2-19-14-16-15-20-11-6-17(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
InChIKeyIMPIQPYHQAPNDL-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.74
Rot. Bonds4

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

N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81253435) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81253435
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H29N3/c1-2-19-14-16-15-20-11-6-17(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
InChIKeyIMPIQPYHQAPNDL-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

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Related Compounds

CID 205586
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CID 4761
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CID 2181
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CID 19861
CID 19861
CID 9794203
CID 9794203
CID 11388
CID 11388
CID 1534386
CID 1534386
CID 261474
CID 261474
CID 641266
CID 641266
CID 161313
CID 161313
CID 201618
CID 201618
CID 74811
CID 74811

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine (CID 81253435) is N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1N1CCC2(CCCCC2)CC1.
What is the InChIKey of N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is IMPIQPYHQAPNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-19-14-16-15-20-11-6-17(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-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-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-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81253435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).