N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium

C13H28N3Y- — CID 176740501

IUPACN-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium
SMILES[CH2-]N(CN1CCN(C(C)C)CC1)C(C)(C)C.[Y]
InChIInChI=1S/C13H28N3.Y/c1-12(2)16-9-7-15(8-10-16)11-14(6)13(3,4)5;/h12H,6-11H2,1-5H3;/q-1;
InChIKeyJGQSFSLQWNOGOV-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.86
Rot. Bonds3

About N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium

N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium (PubChem CID 176740501) has the molecular formula C13H28N3Y- and a molecular weight of 315.29 g/mol. Its IUPAC name is N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium.

Molecular Properties

Compound NameN-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium
PubChem CID176740501
Molecular FormulaC13H28N3Y-
Molecular Weight315.29 g/mol
Exact Mass315.13
IUPAC NameN-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium
SMILES[CH2-]N(CN1CCN(C(C)C)CC1)C(C)(C)C.[Y]
InChIInChI=1S/C13H28N3.Y/c1-12(2)16-9-7-15(8-10-16)11-14(6)13(3,4)5;/h12H,6-11H2,1-5H3;/q-1;
InChIKeyJGQSFSLQWNOGOV-UHFFFAOYSA-N
XLogP1.86
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium?
The IUPAC name of N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium (CID 176740501) is N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium.
What is the SMILES notation for N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium?
The canonical SMILES for N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium is [CH2-]N(CN1CCN(C(C)C)CC1)C(C)(C)C.[Y].
What is the InChIKey of N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium?
The InChIKey is JGQSFSLQWNOGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N3.Y/c1-12(2)16-9-7-15(8-10-16)11-14(6)13(3,4)5;/h12H,6-11H2,1-5H3;/q-1;.
What are the key properties of N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium?
N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium has a molecular weight of 315.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-2-methyl-N-[(4-propan-2-ylpiperazin-1-yl)methyl]propan-2-amine;yttrium is sourced from PubChem (CID 176740501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).