N-(pyridin-3-ylmethyl)propan-1-amine;yttrium

C9H13N2Y- — CID 59057937

IUPACN-(pyridin-3-ylmethyl)propan-1-amine;yttrium
SMILES[CH2-]CCNCc1cccnc1.[Y]
InChIInChI=1S/C9H13N2.Y/c1-2-5-10-7-9-4-3-6-11-8-9;/h3-4,6,8,10H,1-2,5,7H2;/q-1;
InChIKeyLEOVGIONUFJCST-UHFFFAOYSA-N
MW238.12 g/mol
LogP1.39
Rot. Bonds4

About N-(pyridin-3-ylmethyl)propan-1-amine;yttrium

N-(pyridin-3-ylmethyl)propan-1-amine;yttrium (PubChem CID 59057937) has the molecular formula C9H13N2Y- and a molecular weight of 238.12 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)propan-1-amine;yttrium.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)propan-1-amine;yttrium
PubChem CID59057937
Molecular FormulaC9H13N2Y-
Molecular Weight238.12 g/mol
Exact Mass238.01
IUPAC NameN-(pyridin-3-ylmethyl)propan-1-amine;yttrium
SMILES[CH2-]CCNCc1cccnc1.[Y]
InChIInChI=1S/C9H13N2.Y/c1-2-5-10-7-9-4-3-6-11-8-9;/h3-4,6,8,10H,1-2,5,7H2;/q-1;
InChIKeyLEOVGIONUFJCST-UHFFFAOYSA-N
XLogP1.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
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2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
N-(pyridin-3-ylmethyl)heptan-1-amine
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1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
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N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
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N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
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N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
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4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
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CID 63255523

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)propan-1-amine;yttrium?
The IUPAC name of N-(pyridin-3-ylmethyl)propan-1-amine;yttrium (CID 59057937) is N-(pyridin-3-ylmethyl)propan-1-amine;yttrium.
What is the SMILES notation for N-(pyridin-3-ylmethyl)propan-1-amine;yttrium?
The canonical SMILES for N-(pyridin-3-ylmethyl)propan-1-amine;yttrium is [CH2-]CCNCc1cccnc1.[Y].
What is the InChIKey of N-(pyridin-3-ylmethyl)propan-1-amine;yttrium?
The InChIKey is LEOVGIONUFJCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2.Y/c1-2-5-10-7-9-4-3-6-11-8-9;/h3-4,6,8,10H,1-2,5,7H2;/q-1;.
What are the key properties of N-(pyridin-3-ylmethyl)propan-1-amine;yttrium?
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium has a molecular weight of 238.12 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)propan-1-amine;yttrium is sourced from PubChem (CID 59057937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).