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

C17H27NY-2 — CID 58194855

IUPACN-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium
SMILES[2H][C-](C(C)C)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;/i11D;
InChIKeyUMYHNRLZTJSPGS-DBHJEENASA-N
MW335.32 g/mol
LogP4.99
Rot. Bonds5

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

N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium (PubChem CID 58194855) has the molecular formula C17H27NY-2 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium.

Molecular Properties

Compound NameN-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium
PubChem CID58194855
Molecular FormulaC17H27NY-2
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC NameN-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium
SMILES[2H][C-](C(C)C)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;/i11D;
InChIKeyUMYHNRLZTJSPGS-DBHJEENASA-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 ≤ 500335.32
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-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
The IUPAC name of N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium (CID 58194855) is N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium.
What is the SMILES notation for N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
The canonical SMILES for N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium is [2H][C-](C(C)C)N(C)c1[c-]c(C(C)C)c(C(C)C)cc1.[Y].
What is the InChIKey of N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
The InChIKey is UMYHNRLZTJSPGS-DBHJEENASA-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;/i11D;.
What are the key properties of N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium?
N-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium has a molecular weight of 335.32 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-(1-deuterio-2-methylpropyl)-N-methyl-3,4-di(propan-2-yl)benzene-2-id-1-amine;yttrium is sourced from PubChem (CID 58194855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).