N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium

C9H17N2Y- — CID 59040094

IUPACN-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium
SMILES[CH2-]C=CNCN1CCCCC1.[Y]
InChIInChI=1S/C9H17N2.Y/c1-2-6-10-9-11-7-4-3-5-8-11;/h2,6,10H,1,3-5,7-9H2;/q-1;
InChIKeyWJLPTQXDEMPMRO-UHFFFAOYSA-N
MW242.15 g/mol
LogP1.36
Rot. Bonds3

About N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium

N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium (PubChem CID 59040094) has the molecular formula C9H17N2Y- and a molecular weight of 242.15 g/mol. Its IUPAC name is N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium.

Molecular Properties

Compound NameN-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium
PubChem CID59040094
Molecular FormulaC9H17N2Y-
Molecular Weight242.15 g/mol
Exact Mass242.05
IUPAC NameN-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium
SMILES[CH2-]C=CNCN1CCCCC1.[Y]
InChIInChI=1S/C9H17N2.Y/c1-2-6-10-9-11-7-4-3-5-8-11;/h2,6,10H,1,3-5,7-9H2;/q-1;
InChIKeyWJLPTQXDEMPMRO-UHFFFAOYSA-N
XLogP1.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,8-Diazabicyclo[5.4.0]undec-2-ene
CID 9812821
2-Piperidin-1-yl-1,2-dihydropyridine
CID 21878399
N-methyl-2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-amine
CID 22418678
2,3,4,8,9,10-hexahydro-1H-pyrimido[1,2-a]azepin-10a-amine
CID 56628724
N-(piperidin-1-ylmethyl)prop-1-en-1-amine
CID 59040095
1,2,3,7,8,9,10,10a-Octahydropyrido[1,2-a][1,3]diazepine
CID 67329702
3-(2-piperidin-1-ylethyl)-2,6-dihydro-1H-pyrimidine
CID 67626098
N-(piperidin-1-ylmethyl)prop-2-en-1-amine
CID 68794067
1-piperidin-2-yl-2H-pyridine
CID 69375797
N-methyl-3-piperidin-1-ylprop-1-en-1-amine
CID 89075264
2-piperidin-1-yl-1H-azepine
CID 89579466
2-Butyl-1,2,3,4-tetrahydropyrimidine
CID 130353187

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium?
The IUPAC name of N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium (CID 59040094) is N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium.
What is the SMILES notation for N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium?
The canonical SMILES for N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium is [CH2-]C=CNCN1CCCCC1.[Y].
What is the InChIKey of N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium?
The InChIKey is WJLPTQXDEMPMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.Y/c1-2-6-10-9-11-7-4-3-5-8-11;/h2,6,10H,1,3-5,7-9H2;/q-1;.
What are the key properties of N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium?
N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium has a molecular weight of 242.15 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethyl)prop-1-en-1-amine;yttrium is sourced from PubChem (CID 59040094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).