N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium

C17H27NY-2 — CID 58194864

IUPACN-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium
SMILESCC(C)[CH-]N(C)c1[c-]c(C(C)C)c(C(C)C)cc1.[Y]
InChIInChI=1S/C17H27N.Y/c1-12(2)11-18(7)15-8-9-16(13(3)4)17(10-15)14(5)6;/h8-9,11-14H,1-7H3;/q-2;
InChIKeyUMYHNRLZTJSPGS-UHFFFAOYSA-N
MW334.32 g/mol
LogP4.99
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium

N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium (PubChem CID 58194864) has the molecular formula C17H27NY-2 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium
PubChem CID58194864
Molecular FormulaC17H27NY-2
Molecular Weight334.32 g/mol
Exact Mass334.12
IUPAC NameN-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium
SMILESCC(C)[CH-]N(C)c1[c-]c(C(C)C)c(C(C)C)cc1.[Y]
InChIInChI=1S/C17H27N.Y/c1-12(2)11-18(7)15-8-9-16(13(3)4)17(10-15)14(5)6;/h8-9,11-14H,1-7H3;/q-2;
InChIKeyUMYHNRLZTJSPGS-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 54.99
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-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
The IUPAC name of N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium (CID 58194864) is N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium is CC(C)[CH-]N(C)c1[c-]c(C(C)C)c(C(C)C)cc1.[Y].
What is the InChIKey of N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
The InChIKey is UMYHNRLZTJSPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.Y/c1-12(2)11-18(7)15-8-9-16(13(3)4)17(10-15)14(5)6;/h8-9,11-14H,1-7H3;/q-2;.
What are the key properties of N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium has a molecular weight of 334.32 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium is sourced from PubChem (CID 58194864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).