2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium

C6H14N2Y-2 — CID 155643661

IUPAC2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium
SMILES[CH2-]C(N)C([CH2-])CNC.[Y]
InChIInChI=1S/C6H14N2.Y/c1-5(4-8-3)6(2)7;/h5-6,8H,1-2,4,7H2,3H3;/q-2;
InChIKeySUHDQTCAFPSVRU-UHFFFAOYSA-N
MW203.10 g/mol
LogP-0.19
Rot. Bonds3

About 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium

2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium (PubChem CID 155643661) has the molecular formula C6H14N2Y-2 and a molecular weight of 203.10 g/mol. Its IUPAC name is 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium.

Molecular Properties

Compound Name2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium
PubChem CID155643661
Molecular FormulaC6H14N2Y-2
Molecular Weight203.10 g/mol
Exact Mass203.02
IUPAC Name2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium
SMILES[CH2-]C(N)C([CH2-])CNC.[Y]
InChIInChI=1S/C6H14N2.Y/c1-5(4-8-3)6(2)7;/h5-6,8H,1-2,4,7H2,3H3;/q-2;
InChIKeySUHDQTCAFPSVRU-UHFFFAOYSA-N
XLogP-0.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium?
The IUPAC name of 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium (CID 155643661) is 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium.
What is the SMILES notation for 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium?
The canonical SMILES for 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium is [CH2-]C(N)C([CH2-])CNC.[Y].
What is the InChIKey of 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium?
The InChIKey is SUHDQTCAFPSVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.Y/c1-5(4-8-3)6(2)7;/h5-6,8H,1-2,4,7H2,3H3;/q-2;.
What are the key properties of 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium?
2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium has a molecular weight of 203.10 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-1-N-methylbutane-1,3-diamine;yttrium is sourced from PubChem (CID 155643661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).