N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium

C19H21NY-2 — CID 58662977

IUPACN-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium
SMILESCc1c[c-]c(N(c2[c-]cccc2)C2CCCCC2)cc1.[Y]
InChIInChI=1S/C19H21N.Y/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2,4-5,8,12-14,18H,3,6-7,10-11H2,1H3;/q-2;
InChIKeyRVFKCDMBSRSZBP-UHFFFAOYSA-N
MW352.29 g/mol
LogP5.06
Rot. Bonds3

About N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium

N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium (PubChem CID 58662977) has the molecular formula C19H21NY-2 and a molecular weight of 352.29 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium
PubChem CID58662977
Molecular FormulaC19H21NY-2
Molecular Weight352.29 g/mol
Exact Mass352.07
IUPAC NameN-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium
SMILESCc1c[c-]c(N(c2[c-]cccc2)C2CCCCC2)cc1.[Y]
InChIInChI=1S/C19H21N.Y/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2,4-5,8,12-14,18H,3,6-7,10-11H2,1H3;/q-2;
InChIKeyRVFKCDMBSRSZBP-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.29
LogP ≤ 55.06
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-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium?
The IUPAC name of N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium (CID 58662977) is N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium.
What is the SMILES notation for N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium?
The canonical SMILES for N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium is Cc1c[c-]c(N(c2[c-]cccc2)C2CCCCC2)cc1.[Y].
What is the InChIKey of N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium?
The InChIKey is RVFKCDMBSRSZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.Y/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2,4-5,8,12-14,18H,3,6-7,10-11H2,1H3;/q-2;.
What are the key properties of N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium?
N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium has a molecular weight of 352.29 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-N-phenylbenzene-6-id-1-amine;yttrium is sourced from PubChem (CID 58662977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).