N-(phenylmethyl)propan-1-amine;yttrium

C10H14NY- — CID 58003848

IUPACN-(phenylmethyl)propan-1-amine;yttrium
SMILESCCCNCc1[c-]cccc1.[Y]
InChIInChI=1S/C10H14N.Y/c1-2-8-11-9-10-6-4-3-5-7-10;/h3-6,11H,2,8-9H2,1H3;/q-1;
InChIKeyOPIFDDOLCNYOBC-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.98
Rot. Bonds4

About N-(phenylmethyl)propan-1-amine;yttrium

N-(phenylmethyl)propan-1-amine;yttrium (PubChem CID 58003848) has the molecular formula C10H14NY- and a molecular weight of 237.13 g/mol. Its IUPAC name is N-(phenylmethyl)propan-1-amine;yttrium.

Molecular Properties

Compound NameN-(phenylmethyl)propan-1-amine;yttrium
PubChem CID58003848
Molecular FormulaC10H14NY-
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC NameN-(phenylmethyl)propan-1-amine;yttrium
SMILESCCCNCc1[c-]cccc1.[Y]
InChIInChI=1S/C10H14N.Y/c1-2-8-11-9-10-6-4-3-5-7-10;/h3-6,11H,2,8-9H2,1H3;/q-1;
InChIKeyOPIFDDOLCNYOBC-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N-(phenylmethyl)propan-1-amine;yttrium?
The IUPAC name of N-(phenylmethyl)propan-1-amine;yttrium (CID 58003848) is N-(phenylmethyl)propan-1-amine;yttrium.
What is the SMILES notation for N-(phenylmethyl)propan-1-amine;yttrium?
The canonical SMILES for N-(phenylmethyl)propan-1-amine;yttrium is CCCNCc1[c-]cccc1.[Y].
What is the InChIKey of N-(phenylmethyl)propan-1-amine;yttrium?
The InChIKey is OPIFDDOLCNYOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.Y/c1-2-8-11-9-10-6-4-3-5-7-10;/h3-6,11H,2,8-9H2,1H3;/q-1;.
What are the key properties of N-(phenylmethyl)propan-1-amine;yttrium?
N-(phenylmethyl)propan-1-amine;yttrium has a molecular weight of 237.13 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenylmethyl)propan-1-amine;yttrium is sourced from PubChem (CID 58003848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).