N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)

C15H20NRu — CID 59758256

IUPACN-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)
SMILESC=C(C)N(Cc1c[c-]c(CC)cc1)C(=C)C.[Ru+]
InChIInChI=1S/C15H20N.Ru/c1-6-14-7-9-15(10-8-14)11-16(12(2)3)13(4)5;/h7,9-10H,2,4,6,11H2,1,3,5H3;/q-1;+1
InChIKeyKMQMDVZSQMDHKZ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.92
Rot. Bonds5

About N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)

N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+) (PubChem CID 59758256) has the molecular formula C15H20NRu and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+).

Molecular Properties

Compound NameN-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)
PubChem CID59758256
Molecular FormulaC15H20NRu
Molecular Weight315.40 g/mol
Exact Mass316.06
IUPAC NameN-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)
SMILESC=C(C)N(Cc1c[c-]c(CC)cc1)C(=C)C.[Ru+]
InChIInChI=1S/C15H20N.Ru/c1-6-14-7-9-15(10-8-14)11-16(12(2)3)13(4)5;/h7,9-10H,2,4,6,11H2,1,3,5H3;/q-1;+1
InChIKeyKMQMDVZSQMDHKZ-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.92
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-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)?
The IUPAC name of N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+) (CID 59758256) is N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+).
What is the SMILES notation for N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)?
The canonical SMILES for N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+) is C=C(C)N(Cc1c[c-]c(CC)cc1)C(=C)C.[Ru+].
What is the InChIKey of N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)?
The InChIKey is KMQMDVZSQMDHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N.Ru/c1-6-14-7-9-15(10-8-14)11-16(12(2)3)13(4)5;/h7,9-10H,2,4,6,11H2,1,3,5H3;/q-1;+1.
What are the key properties of N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+)?
N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+) has a molecular weight of 315.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylbenzene-5-id-1-yl)methyl]-N-prop-1-en-2-ylprop-1-en-2-amine;ruthenium(1+) is sourced from PubChem (CID 59758256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).