N'-(phenylmethyl)ethane-1,2-diamine;yttrium

C9H13N2Y- — CID 58527550

IUPACN'-(phenylmethyl)ethane-1,2-diamine;yttrium
SMILESNCCNCc1[c-]cccc1.[Y]
InChIInChI=1S/C9H13N2.Y/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-4,11H,6-8,10H2;/q-1;
InChIKeyCLXQZIPOPRAITB-UHFFFAOYSA-N
MW238.12 g/mol
LogP0.53
Rot. Bonds4

About N'-(phenylmethyl)ethane-1,2-diamine;yttrium

N'-(phenylmethyl)ethane-1,2-diamine;yttrium (PubChem CID 58527550) has the molecular formula C9H13N2Y- and a molecular weight of 238.12 g/mol. Its IUPAC name is N'-(phenylmethyl)ethane-1,2-diamine;yttrium.

Molecular Properties

Compound NameN'-(phenylmethyl)ethane-1,2-diamine;yttrium
PubChem CID58527550
Molecular FormulaC9H13N2Y-
Molecular Weight238.12 g/mol
Exact Mass238.01
IUPAC NameN'-(phenylmethyl)ethane-1,2-diamine;yttrium
SMILESNCCNCc1[c-]cccc1.[Y]
InChIInChI=1S/C9H13N2.Y/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-4,11H,6-8,10H2;/q-1;
InChIKeyCLXQZIPOPRAITB-UHFFFAOYSA-N
XLogP0.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.12
LogP ≤ 50.53
H-Bond Donors ≤ 52
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

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Frequently Asked Questions

What is the IUPAC name of N'-(phenylmethyl)ethane-1,2-diamine;yttrium?
The IUPAC name of N'-(phenylmethyl)ethane-1,2-diamine;yttrium (CID 58527550) is N'-(phenylmethyl)ethane-1,2-diamine;yttrium.
What is the SMILES notation for N'-(phenylmethyl)ethane-1,2-diamine;yttrium?
The canonical SMILES for N'-(phenylmethyl)ethane-1,2-diamine;yttrium is NCCNCc1[c-]cccc1.[Y].
What is the InChIKey of N'-(phenylmethyl)ethane-1,2-diamine;yttrium?
The InChIKey is CLXQZIPOPRAITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2.Y/c10-6-7-11-8-9-4-2-1-3-5-9;/h1-4,11H,6-8,10H2;/q-1;.
What are the key properties of N'-(phenylmethyl)ethane-1,2-diamine;yttrium?
N'-(phenylmethyl)ethane-1,2-diamine;yttrium has a molecular weight of 238.12 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(phenylmethyl)ethane-1,2-diamine;yttrium is sourced from PubChem (CID 58527550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).