N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium

C9H17NY-2 — CID 58095423

IUPACN,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium
SMILES[CH2-]C1CCCCC1N([CH2-])C.[Y]
InChIInChI=1S/C9H17N.Y/c1-8-6-4-5-7-9(8)10(2)3;/h8-9H,1-2,4-7H2,3H3;/q-2;
InChIKeyRLEZRQIHFXAULX-UHFFFAOYSA-N
MW228.15 g/mol
LogP2.10
Rot. Bonds1

About N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium

N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium (PubChem CID 58095423) has the molecular formula C9H17NY-2 and a molecular weight of 228.15 g/mol. Its IUPAC name is N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium.

Molecular Properties

Compound NameN,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium
PubChem CID58095423
Molecular FormulaC9H17NY-2
Molecular Weight228.15 g/mol
Exact Mass228.04
IUPAC NameN,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium
SMILES[CH2-]C1CCCCC1N([CH2-])C.[Y]
InChIInChI=1S/C9H17N.Y/c1-8-6-4-5-7-9(8)10(2)3;/h8-9H,1-2,4-7H2,3H3;/q-2;
InChIKeyRLEZRQIHFXAULX-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.15
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium?
The IUPAC name of N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium (CID 58095423) is N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium.
What is the SMILES notation for N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium?
The canonical SMILES for N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium is [CH2-]C1CCCCC1N([CH2-])C.[Y].
What is the InChIKey of N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium?
The InChIKey is RLEZRQIHFXAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.Y/c1-8-6-4-5-7-9(8)10(2)3;/h8-9H,1-2,4-7H2,3H3;/q-2;.
What are the key properties of N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium?
N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium has a molecular weight of 228.15 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethanidyl-N-methylcyclohexan-1-amine;yttrium is sourced from PubChem (CID 58095423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).